Receptor
PDB id Resolution Class Description Source Keywords
5MZI 1.71 Å EC: 1.14.13.9 PSEUDOMONAS FLUORESCENS KYNURENINE 3-MONOOXYGENASE (KMO) IN WITH 3-(5-CHLORO-6-CYCLOPROPOXY-2-OXO-2,3-DIHYDRO-1,3-BENZOY L)PROPANOIC ACID PSEUDOMONAS FLUORESCENS KMO OXIDOREDUCTASE
Ref.: DEVELOPMENT OF A SERIES OF KYNURENINE 3-MONOOXYGENA INHIBITORS LEADING TO A CLINICAL CANDIDATE FOR THE OF ACUTE PANCREATITIS. J. MED. CHEM. V. 60 3383 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:506;
B:505;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FYK A:505;
A:504;
B:504;
B:503;
A:503;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
ic50 = 3.162 nM
297.691 C13 H12 Cl N O5 c1c2c...
FAD B:501;
A:501;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
CL B:502;
A:502;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MZI 1.71 Å EC: 1.14.13.9 PSEUDOMONAS FLUORESCENS KYNURENINE 3-MONOOXYGENASE (KMO) IN WITH 3-(5-CHLORO-6-CYCLOPROPOXY-2-OXO-2,3-DIHYDRO-1,3-BENZOY L)PROPANOIC ACID PSEUDOMONAS FLUORESCENS KMO OXIDOREDUCTASE
Ref.: DEVELOPMENT OF A SERIES OF KYNURENINE 3-MONOOXYGENA INHIBITORS LEADING TO A CLINICAL CANDIDATE FOR THE OF ACUTE PANCREATITIS. J. MED. CHEM. V. 60 3383 2017
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5MZI ic50 = 3.162 nM FYK C13 H12 Cl N O5 c1c2c(cc(c....
2 5NA5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5NAH - 8RB C17 H16 Cl N3 O4 Cc1ccc(nn1....
4 5N7T ic50 = 6.3 nM JHY C10 H7 Cl2 N O4 c1c2c(cc(c....
5 5NAE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5NAB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5NAK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5MZC ic50 = 5.012 nM 8EQ C12 H12 Cl N O5 CCOc1cc2c(....
9 5NAG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5MZK ic50 = 251.2 uM OK1 C15 H16 Cl N O5 c1c2c(cc(c....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5MZI ic50 = 3.162 nM FYK C13 H12 Cl N O5 c1c2c(cc(c....
2 5NA5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5NAH - 8RB C17 H16 Cl N3 O4 Cc1ccc(nn1....
4 5N7T ic50 = 6.3 nM JHY C10 H7 Cl2 N O4 c1c2c(cc(c....
5 5NAE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5NAB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5NAK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5MZC ic50 = 5.012 nM 8EQ C12 H12 Cl N O5 CCOc1cc2c(....
9 5NAG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5MZK ic50 = 251.2 uM OK1 C15 H16 Cl N O5 c1c2c(cc(c....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5MZI ic50 = 3.162 nM FYK C13 H12 Cl N O5 c1c2c(cc(c....
2 5NA5 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5NAH - 8RB C17 H16 Cl N3 O4 Cc1ccc(nn1....
4 5N7T ic50 = 6.3 nM JHY C10 H7 Cl2 N O4 c1c2c(cc(c....
5 5NAE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5NAB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5NAK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5MZC ic50 = 5.012 nM 8EQ C12 H12 Cl N O5 CCOc1cc2c(....
9 5NAG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 5MZK ic50 = 251.2 uM OK1 C15 H16 Cl N O5 c1c2c(cc(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FYK; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 FYK 1 1
2 OK1 0.652778 0.918033
3 8EQ 0.647059 0.933333
4 JHY 0.603175 0.947368
5 8RK 0.567164 0.931035
6 8R8 0.535714 0.888889
Ligand no: 2; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MZI; Ligand: FYK; Similar sites found: 431
This union binding pocket(no: 1) in the query (biounit: 5mzi.bio2) has 59 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4C3Y FAD 0.00000269 0.43263 1.30152
2 4C3Y ANB 0.0000104 0.42874 1.30152
3 5FI3 NAP 0.01432 0.40114 1.40056
4 5X62 SAH 0.03297 0.41121 1.47783
5 4OOE NDP 0.008339 0.41794 1.48515
6 2HQM FAD 0.0000005116 0.45042 1.51844
7 5GUD CIT 0.006286 0.40333 1.51844
8 5GUD NDP 0.004609 0.40267 1.51844
9 3KLJ FAD 0.000000004775 0.46721 1.55844
10 1MV8 NAD 0.00003801 0.51939 1.6055
11 1MUU NAD 0.00006057 0.51465 1.6055
12 1D1T NAD 0.00149 0.43664 1.60858
13 2ZXI FAD 0.000001018 0.5432 1.73536
14 5HSA FAS 0.000009172 0.49486 1.73536
15 4MIG G3F 0.000005153 0.43915 1.73536
16 3WLE NAD 0.0006011 0.44202 1.75953
17 3F8D FAD 0.00002192 0.4487 1.85759
18 1E3I CXF 0.00111 0.43192 1.8617
19 2EG5 SAH 0.04079 0.41239 1.88172
20 3OA2 NAD 0.005493 0.42081 1.88679
21 3LU1 NAD 0.004275 0.42293 1.92308
22 5MPT SAH 0.01948 0.41972 1.93237
23 2VVL FAD 0.000004467 0.50593 1.95228
24 4JDR FAD 0.0000004209 0.44894 1.95228
25 4ISS TAR 0.02575 0.43451 1.95228
26 2VVM FAD 0.000003026 0.42595 1.95228
27 1T9D P22 0.04225 0.42551 1.95228
28 3U31 NAD 0.03226 0.40117 2.06897
29 2CVZ NDP 0.003238 0.43578 2.07612
30 3L4S NAD 0.000803 0.44742 2.08333
31 3L4S 3PG 0.0009568 0.44176 2.08333
32 2VYN NAD 0.00005422 0.50501 2.1148
33 3TLJ SAH 0.01706 0.41155 2.14477
34 4EUE NAI 0.0004636 0.45699 2.15311
35 2FR1 NDP 0.0007633 0.4483 2.1692
36 1P31 EPU 0.02604 0.41349 2.1692
37 5ULP KB1 0.01073 0.41815 2.23881
38 1H5Q NAP 0.005159 0.41723 2.26415
39 4OSP NAP 0.007463 0.4152 2.28137
40 1YXM ADE 0.03461 0.41875 2.31023
41 1W6U NAP 0.006625 0.42756 2.31788
42 4DSG FAD 0.00004991 0.43064 2.38612
43 4DSG UDP 0.00004991 0.43064 2.38612
44 4N49 SAM 0.02544 0.40856 2.38612
45 2Q1W NAD 0.0006596 0.44815 2.4024
46 3EGI ADP 0.00726 0.46932 2.42718
47 1K3T BRZ 0.005946 0.41034 2.50696
48 3WGT FAD 0.000003663 0.44274 2.59366
49 3WGT QSC 0.00000468 0.44186 2.59366
50 2R4J FAD 0.00003661 0.42304 2.60304
51 2R4J 13P 0.00003661 0.42304 2.60304
52 2JB2 PHE 0.00000745 0.41729 2.60304
53 2JB2 FAD 0.000006789 0.41574 2.60304
54 1L3I SAH 0.01078 0.41553 2.60417
55 2YG3 FAD 0.00000179 0.52339 2.64901
56 1CDO NAD 0.002967 0.43742 2.6738
57 4R6W SAH 0.01024 0.40299 2.71318
58 1CER NAD 0.000105 0.50028 2.71903
59 1L1E SAH 0.02186 0.4117 2.78746
60 2PK3 A2R 0.01565 0.42143 2.80374
61 3GD4 FAD 0.0000002417 0.50291 2.81996
62 2WPF FAD 0.000006077 0.47947 2.81996
63 2WPF WPF 0.000007062 0.47938 2.81996
64 3NTA FAD 0.00000001854 0.47529 2.81996
65 4BV6 FAD 0.0000000612 0.47156 2.81996
66 3NT6 FAD 0.0000000533 0.46352 2.81996
67 3GD4 NAD 0.0000003664 0.45658 2.81996
68 5MBX FAD 0.000009215 0.44324 2.81996
69 5MBX SP5 0.000009215 0.44324 2.81996
70 1YKF NAP 0.00334 0.42737 2.84091
71 2C7G FAD 0.004403 0.40012 2.85088
72 2C7G ODP 0.004172 0.40012 2.85088
73 1L7E NAI 0.0003815 0.48307 2.86458
74 3ZNN 4WL 0.000005921 0.45223 2.88184
75 3ZNN FAD 0.000005921 0.45223 2.88184
76 1KNR FAD 0.0000002091 0.55689 2.96296
77 2HK9 ATR 0.00002028 0.59823 3.03688
78 2HK9 NAP 0.0002871 0.48137 3.03688
79 1MO9 KPC 0.000004559 0.47545 3.03688
80 1MO9 FAD 0.000004376 0.47521 3.03688
81 1OBB NAD 0.00301 0.44292 3.03688
82 4HA6 FAD 0.000003177 0.43207 3.03688
83 4YNU LGC 0.00002135 0.42358 3.03688
84 4YNU FAD 0.00003504 0.40953 3.03688
85 1ZBQ NAD 0.003566 0.42142 3.0581
86 1U7T NAD 0.009008 0.41408 3.06513
87 2Q7V FAD 0.00000007063 0.46953 3.07692
88 1F8G NAD 0.0006416 0.48023 3.125
89 5HJM MTA 0.03721 0.40317 3.125
90 3CGB FAD 0.00000001465 0.61207 3.2538
91 4MOP 2H5 0.000001553 0.49201 3.2538
92 4Z24 FAD 0.00001043 0.48993 3.2538
93 1H82 FAD 0.000004119 0.47127 3.2538
94 1H82 GZZ 0.000006828 0.45274 3.2538
95 5UAO FAD 0.000002826 0.42847 3.2538
96 4AP3 FAD 0.00009583 0.42245 3.2538
97 4AP3 NAP 0.00009583 0.42245 3.2538
98 1RPN NDP 0.007012 0.40961 3.28358
99 2VFT SOR 0.04181 0.41836 3.31754
100 3GDH SAH 0.0181 0.40792 3.3195
101 4CNK FAD 0.00000003127 0.47031 3.32481
102 5JCM FAD 0.0000005206 0.49104 3.32594
103 5JCM ISD 0.000000581 0.49066 3.32594
104 5JCM NAD 0.0000005834 0.49061 3.32594
105 3EGV SAH 0.006894 0.44535 3.40136
106 4HXY NDP 0.0004634 0.45988 3.42466
107 5DX8 SFG 0.02732 0.40215 3.4384
108 5DXA SFG 0.02812 0.40157 3.4384
109 2OOR NAD 0.0003815 0.49068 3.44828
110 1GZ6 NAI 0.01268 0.40126 3.44828
111 5KMS FAD 0.0000002736 0.43888 3.45679
112 5KMS NAD 0.00002945 0.43349 3.45679
113 5TTJ FAD 0.000007639 0.50392 3.47072
114 1N4W FAD 0.00001438 0.41602 3.47072
115 1NPD NAD 0.001079 0.46287 3.47222
116 2AHR NAP 0.01468 0.40281 3.4749
117 3OJO NAD 0.0000109 0.55704 3.48028
118 3VYW SAM 0.005601 0.43972 3.57143
119 4NTC FAD 0.00000008436 0.56705 3.58209
120 4TM3 FAD 0.00002323 0.44633 3.61174
121 1O5I NAD 0.01675 0.42001 3.61446
122 1W73 NAP 0.003805 0.43836 3.64238
123 5I39 FAD 0.000003233 0.52093 3.67647
124 3CGD FAD 0.0000006094 0.50027 3.68764
125 3CGD COA 0.0000006094 0.50027 3.68764
126 3CGD NAD 0.0000006094 0.50027 3.68764
127 4TXI FAD 0.000000000545 0.48678 3.68764
128 2BRY FAD 0.0000000009062 0.48646 3.68764
129 1ZMD FAD 0.0000003092 0.45791 3.68764
130 1PS9 FAD 0.0000003187 0.45171 3.68764
131 2WET FAD 0.000001976 0.44033 3.68764
132 1COY AND 0.00009631 0.41735 3.68764
133 1COY FAD 0.000008952 0.4163 3.68764
134 4XYB NDP 0.004103 0.41455 3.68764
135 5EB4 FAD 0.00003256 0.40116 3.68764
136 3GFB NAD 0.0004528 0.46951 3.71429
137 2DT5 NAD 0.00008623 0.49656 3.79147
138 1U8X NAD 0.01061 0.4134 3.81356
139 4JNA FAD 0.0000001437 0.55505 3.82353
140 5EZ7 FAD 0.00000635 0.41449 3.82653
141 4XDY NAI 0.005581 0.42552 3.84615
142 4USR FAD 0.000002057 0.40729 3.87812
143 1YQZ FAD 0.000003902 0.46056 3.88128
144 5MQ6 NDP 0.0002427 0.49573 3.90456
145 1GPE FAD 0.000008909 0.48378 3.90456
146 2E5V FAD 0.00000005297 0.47967 3.90456
147 3LAD FAD 0.0000006899 0.44771 3.90456
148 1GEG NAD 0.007975 0.41171 3.90625
149 3SJU NDP 0.0106 0.40445 3.94265
150 5JE8 NAD 0.0004437 0.47659 3.97351
151 2CDU FAD 0.000000006969 0.47519 3.9823
152 1E5Q NDP 0.004252 0.42548 4
153 4YCA NDP 0.0002331 0.48529 4.08163
154 1KYQ NAD 0.00001709 0.5752 4.12148
155 2XVF FAD 0.000007215 0.51141 4.12148
156 5U8U FAD 0.000005169 0.46289 4.12148
157 4REP FAD 0.00000124 0.43381 4.12148
158 2XVE FAD 0.0001116 0.42055 4.12148
159 3UCL NAP 0.0002203 0.41748 4.12148
160 3UCL CYH 0.0001843 0.41748 4.12148
161 3UCL FAD 0.0001843 0.41748 4.12148
162 3UOY FAD 0.0002466 0.41529 4.12148
163 3UOY NAP 0.0002466 0.41529 4.12148
164 4RDH AMP 0.000003485 0.61649 4.16667
165 2D5A COA 0.01917 0.40923 4.16667
166 1ZEM NAD 0.0004192 0.47425 4.19847
167 1GET NAP 0.000005152 0.46564 4.22222
168 1GET FAD 0.000005059 0.46408 4.22222
169 2NPX FAD 0.00000027 0.56476 4.25056
170 2NPX NAD 0.000002202 0.47456 4.25056
171 4OBW SAM 0.03586 0.40659 4.28016
172 1GTE FAD 0.000009003 0.45212 4.33839
173 2V7Y ADP 0.04026 0.40681 4.33839
174 3QJ4 FAD 0.00000154 0.53281 4.38596
175 1V59 FAD 0.0000007106 0.45509 4.39331
176 4QTU SAM 0.005387 0.44376 4.44444
177 3OYW TDG 0.02043 0.44368 4.47761
178 4IMO PWZ 0.03332 0.43282 4.54545
179 4YRY FAD 0.0000001142 0.46651 4.55531
180 4YRY NAD 0.000001461 0.46273 4.55531
181 4AZT SAM 0.0194 0.41981 4.55531
182 3S5W FAD 0.0000007488 0.41212 4.55531
183 4J56 FAD 0.000004105 0.43219 4.62107
184 1ELI PYC 0.00001628 0.40423 4.62725
185 1I8T FAD 0.00000351 0.42352 4.63215
186 2AF6 BRU 0.01405 0.45425 4.65116
187 1JNR FAD 0.0000009483 0.49189 4.66667
188 3AB1 FAD 0.00000005486 0.46666 4.72222
189 3EVG SAH 0.0475 0.4005 4.72727
190 3G5S FAD 0.00000005477 0.45721 4.74041
191 3V1Y NAD 0.00003332 0.52186 4.74777
192 4K5S PM0 0.00006629 0.45334 4.77223
193 4K5S FAD 0.00005802 0.43614 4.77223
194 5JJR SAH 0.02304 0.41612 4.77223
195 4D04 NAP 0.0001148 0.41492 4.77223
196 4D04 FAD 0.0001148 0.41492 4.77223
197 4UP3 FAD 0.0000007563 0.44282 4.77707
198 4G74 FAD 0.00000001072 0.62203 4.78088
199 4G74 UQ5 0.0000001279 0.53897 4.78088
200 3ORF NAD 0.002813 0.43303 4.78088
201 4IAW LIZ 0.0336 0.4273 4.78723
202 4KRI SAH 0.01771 0.41605 4.84988
203 1Q1R FAD 0.00000009997 0.58089 4.87239
204 1E3W NAD 0.003641 0.42582 4.98084
205 1N2X SAM 0.0236 0.40271 4.98339
206 1F3L SAH 0.02161 0.40934 4.98442
207 1OMO NAD 0.00008247 0.51282 4.98915
208 1U1J MET 0.02274 0.42592 4.98915
209 1LSS NAD 0.000002027 0.60187 5
210 1E6W NAD 0.008943 0.40964 5
211 2HNK SAH 0.009128 0.42969 5.02092
212 3WMX NAD 0.00246 0.44095 5.02793
213 3ITJ FAD 0.000004999 0.44424 5.02959
214 2ZIF SAM 0.02129 0.41496 5.05051
215 3L9W AMP 0.0001747 0.47713 5.08475
216 3L9W GSH 0.0004408 0.46682 5.08475
217 5BR7 FLC 0.00003639 0.43207 5.08906
218 5BR7 FAD 0.00003865 0.43129 5.08906
219 4ZRN NAD 0.002291 0.42443 5.12821
220 1FL2 FAD 0.0000002644 0.55709 5.16129
221 3RNM FAD 0.0000004636 0.53377 5.17241
222 1BXK NAD 0.0004578 0.46613 5.20607
223 1QMG APX 0.002363 0.45075 5.20607
224 3QFA FAD 0.000001672 0.43746 5.20607
225 4O0L NDP 0.006559 0.41297 5.20607
226 2V3A FAD 0.00000001747 0.47477 5.20833
227 3NYC IAR 0.0000006837 0.50605 5.24934
228 3NYC FAD 0.0000006837 0.50605 5.24934
229 4RPL 3UC 0.00004534 0.43695 5.26316
230 4RPL FAD 0.00004098 0.43574 5.26316
231 2JAP NDP 0.0128 0.40109 5.26316
232 5K8S CMP 0.04845 0.40271 5.40541
233 1FEC FAD 0.000001018 0.45291 5.42299
234 4FFG LBS 0.02563 0.42793 5.42299
235 3QVP FAD 0.000007223 0.42267 5.42299
236 1LJ8 NAD 0.02713 0.40471 5.42299
237 2UYQ SAM 0.04038 0.42514 5.48387
238 1HYH NAD 0.0000332 0.50649 5.50162
239 3HDY FDA 0.00002279 0.43802 5.54156
240 3HDY FAD 0.0000239 0.43744 5.54156
241 3HDY GDU 0.00002447 0.43476 5.54156
242 3CTY FAD 0.00000002715 0.4902 5.64263
243 4ZCC NAI 0.000002131 0.4904 5.65476
244 4ZCC FAD 0.000002131 0.4904 5.65476
245 2VDV SAM 0.009987 0.44443 5.69106
246 5FJN BE2 0.000004063 0.43506 5.70175
247 5FJN FAD 0.000003105 0.43023 5.70175
248 5ODQ FAD 0.0000001641 0.55303 5.71429
249 4OPC PGT 0.0000002806 0.52746 5.73951
250 4OPC FDA 0.000000284 0.52235 5.73951
251 3AYI HCI 0.000005257 0.44819 5.82524
252 3AYI FAD 0.000006077 0.44439 5.82524
253 5F2T PLM 0.02875 0.41724 5.84416
254 1Y8Q ATP 0.000007959 0.55825 5.85683
255 1QO8 FAD 0.0000000574 0.47612 5.85683
256 2DKH 3HB 0.0003024 0.42264 5.85683
257 5MDH NAD 0.007305 0.41798 5.85683
258 2DKH FAD 0.0007838 0.40256 5.85683
259 1WDK NAD 0.00007633 0.51859 5.89744
260 1Z82 NDP 0.004825 0.42568 5.97015
261 1HGX 5GP 0.03393 0.42706 6.01093
262 4II2 ATP 0.000002698 0.59602 6.0241
263 1NAA 6FA 0.00000533 0.49712 6.07375
264 1NAA ABL 0.000012 0.46183 6.07375
265 2IID FAD 0.000003366 0.4554 6.07375
266 2IID PHE 0.000003366 0.4554 6.07375
267 5G3U FDA 0.0000006644 0.4358 6.07375
268 5G3U ITW 0.00000353 0.43488 6.07375
269 1J1R ADE 0.03471 0.43268 6.13027
270 5VN0 FAD 0.00000005684 0.58567 6.29067
271 5TS5 FAD 0.0000007611 0.53318 6.29067
272 4EIP K2C 0.00000000583 0.51692 6.29067
273 4EIP FAD 0.00000000583 0.51692 6.29067
274 5VN0 NAI 0.000004592 0.46282 6.29067
275 4U8P FDA 0.000009991 0.43506 6.29067
276 4U8P UDP 0.00001046 0.43018 6.29067
277 5JCA NDP 0.000001818 0.47321 6.33803
278 5JCA FAD 0.00000009973 0.46748 6.33803
279 4EMI NAD 0.000001858 0.47191 6.34146
280 4EMI FAD 0.0000000587 0.46274 6.34146
281 2DC1 NAD 0.0009736 0.45534 6.35593
282 1KJ1 MAN 0.02171 0.43137 6.42202
283 3OFK SAH 0.004047 0.44318 6.48148
284 1X14 NAD 0.00003731 0.55831 6.48379
285 5JWC FAD 0.000000002809 0.6494 6.50759
286 1QAN SAH 0.01592 0.41553 6.55738
287 3KB6 NAD 0.001626 0.44583 6.58683
288 5BVA FAD 0.0000000002118 0.64433 6.60147
289 5WGR FAD 0.00000000941 0.60526 6.72451
290 1YY5 FAD 0.000001459 0.51338 6.72451
291 1RSG FAD 0.000001044 0.44422 6.72451
292 5GZ6 NDP 0.000936 0.47636 6.74847
293 5GZ6 7C3 0.00164 0.45798 6.74847
294 1EQ2 NAP 0.009503 0.40855 6.77419
295 1J49 NAD 0.0001326 0.48872 6.90691
296 4DPL NAP 0.008924 0.40968 6.96379
297 1BZL FAD 0.00003907 0.45493 7.15835
298 4RSL FAD 0.00001134 0.40128 7.19101
299 2V3B FAD 0.00000003052 0.46553 7.27273
300 2YVJ FAD 0.0000002496 0.44385 7.33945
301 2D2I NAP 0.0002965 0.49178 7.36842
302 2ZHL NAG GAL GAL NAG 0.04252 0.4146 7.43243
303 1X87 NAD 0.00007743 0.5183 7.44102
304 4EMJ FAD 0.0000001118 0.57069 7.47664
305 3LKZ SFG 0.01343 0.42465 7.47664
306 1Q9I FAD 0.0000002263 0.49255 7.59219
307 1Q9I TEO 0.0000002263 0.49255 7.59219
308 3NKS FAD 0.000002048 0.42205 7.59219
309 4MO2 FAD 0.000003786 0.42081 7.6087
310 4MO2 FDA 0.000004588 0.41612 7.6087
311 1VQW FAD 0.0000008427 0.41466 7.65864
312 2RGJ FAD 0.0000000000444 0.73173 7.71144
313 5H81 NAP 0.002146 0.45595 7.71208
314 2B9W FAD 0.00001062 0.44381 7.78302
315 5LD5 NAD 0.0002123 0.49838 7.80911
316 2GV8 FAD 0.000001051 0.55458 7.82998
317 2GV8 NDP 0.00374 0.43869 7.82998
318 2GVC FAD 0.0000008164 0.41515 7.82998
319 4X9M FAD 0.000002522 0.42911 7.89474
320 2EJU SAH 0.01291 0.42853 7.93651
321 3JQB NAP 0.003107 0.43384 7.98611
322 4CM8 NAP 0.002961 0.43209 7.98611
323 4CMI NAP 0.003015 0.43176 7.98611
324 5JCJ NAP 0.003121 0.43113 7.98611
325 4CM4 NAP 0.003229 0.43051 7.98611
326 5JDC NAP 0.003333 0.42993 7.98611
327 3JQ8 NAP 0.003181 0.42825 7.98611
328 3BMN NAP 0.003567 0.42619 7.98611
329 3JQG NAP 0.004713 0.42611 7.98611
330 3JQ7 NAP 0.01111 0.41018 7.98611
331 5CAE COA 0.001284 0.45949 8.10127
332 5CAE SIN 0.007329 0.40674 8.10127
333 1FWV SGA MAG FUC 0.01204 0.46379 8.20895
334 3B20 NAD 0.000297 0.48793 8.25959
335 4WVW SLT 0.008775 0.45635 8.33333
336 2PXX SAH 0.008887 0.43329 8.37209
337 3H2B SAH 0.008034 0.4354 8.37438
338 2IVD FAD 0.000004019 0.52446 8.45987
339 3ICT ADP 0.00000006571 0.72277 8.67679
340 3ICT FAD 0.00000004235 0.59484 8.67679
341 3ICS FAD 0.00000001063 0.47954 8.67679
342 3ICR FAD 0.00000001172 0.4744 8.67679
343 3AD8 NAD 0.00000008034 0.44499 8.67679
344 4XQC NAD 0.0004739 0.42977 8.67679
345 4XQC 13D 0.0005513 0.42543 8.67679
346 3AD8 PYC 0.0001371 0.42202 8.67679
347 3AD8 FAD 0.0001371 0.42202 8.67679
348 2Q46 NAP 0.003524 0.42891 8.69565
349 3DXY SAM 0.005944 0.46027 8.7156
350 1P77 ATR 0.00002184 0.61239 8.82353
351 1NYT NAP 0.001925 0.44854 8.85609
352 4YSX FAD 0.00000002867 0.47672 8.97436
353 5J7X FAD 0.000007429 0.41227 9.11063
354 4FWE FAD 0.000002291 0.50979 9.17085
355 5NBW 8SK 0.02854 0.42393 9.34579
356 2F5Z FAD 0.0000004426 0.45434 9.375
357 4GUS FAD 0.00000279 0.50377 9.40722
358 4GUT FAD 0.000001975 0.44711 9.40722
359 4HSU FAD 0.000004126 0.43376 9.40722
360 4YMH SAH 0.005404 0.44046 9.58333
361 3FG2 FAD 0.0000001371 0.59375 9.65347
362 4M52 FAD 0.0000006845 0.44778 9.65665
363 2A8X FAD 0.000001089 0.52095 9.69828
364 3SQP FAD 0.000009732 0.49878 9.76139
365 2CVQ NDP 0.001811 0.44106 9.78593
366 1D4D FAD 0.00000006819 0.47682 9.79021
367 3A4T SFG 0.005322 0.43766 9.85401
368 3GDN HBX 0.0000287 0.42272 10.1952
369 4IV9 FAD 0.000005887 0.42165 10.1952
370 3GDN FAD 0.0000354 0.40295 10.1952
371 4K28 NAD 0.000146 0.49783 10.4089
372 4GKV NAD 0.001859 0.42797 10.4167
373 1E1M NAP 0.00000118 0.46538 10.4348
374 1E1M FAD 0.00000118 0.46538 10.4348
375 1E6E FAD 0.00000009759 0.44852 10.4348
376 2G5C NAD 0.0001146 0.48792 10.6762
377 3NTD FAD 0.00000001427 0.47765 10.846
378 1XHC FAD 0.00000002632 0.60725 10.8992
379 3FPF TNA 0.004637 0.40258 11.0738
380 3FPF MTA 0.004637 0.40258 11.0738
381 5N53 8NB 0.01093 0.46034 11.2821
382 2I3G NAP 0.001076 0.44498 11.3636
383 3GF4 UPG 0.00001664 0.4486 11.7949
384 3GF4 FAD 0.0001019 0.43109 11.7949
385 3LXD FAD 0.00000002721 0.45988 11.9306
386 2RAB FAD 0.0000005058 0.52907 12.1475
387 2RAB NAD 0.000004219 0.44763 12.1475
388 1MAI I3P 0.03132 0.43259 12.2137
389 2Q0L FAD 0.0000003467 0.54529 12.2186
390 2Q0L NAP 0.0003712 0.51351 12.2186
391 5EVY FAD 0.000000001069 0.73938 12.5571
392 5EVY SAL 0.0001282 0.57253 12.5571
393 5DG2 GAL GLC 0.03538 0.40965 12.5926
394 5J60 FAD 0.0000002828 0.45151 12.8125
395 2GAG NAD 0.0000001229 0.45001 13.1313
396 2GAG FOA 0.00004338 0.40854 13.1313
397 2GAG FAD 0.00004802 0.40721 13.1313
398 2C29 NAP 0.01054 0.40889 13.6499
399 4CQM NAP 0.006922 0.41426 13.7931
400 4CJX NAP 0.0005591 0.47217 14.4201
401 5E8J SAH 0.01325 0.43803 14.4231
402 2I7C AAT 0.00238 0.42379 15.1943
403 2YMZ LAT 0.01811 0.41891 15.3846
404 1A78 TDG 0.03438 0.43149 15.6716
405 1N5S ADL 0.03964 0.41002 16.0714
406 5BUK FAD 0.00000000006421 0.55936 16.2222
407 2CUL FAD 0.000001163 0.42027 16.8103
408 2QA1 FAD 0.00009693 0.43243 16.9197
409 2GMH FAD 0.00000002054 0.58881 17.5705
410 3OZ2 FAD 0.00000000138 0.63521 18.3879
411 1DJN ADP 0.00000003008 0.67345 19.9566
412 1O94 ADP 0.00000001647 0.42317 19.9566
413 2PV7 NAD 0.0006332 0.4633 20.4698
414 2BOS GLA GAL GLC NBU 0.006205 0.47395 20.5882
415 2BOS GLA GAL GLC 0.007741 0.46709 20.5882
416 2Z3Y F2N 0.000002838 0.4355 26.6811
417 3E1T FAD 0.0000000002096 0.54143 27.7657
418 1PN0 IPH 0.000000000346 0.55363 31.4534
419 1PN0 FAD 0.0000000003831 0.54955 31.4534
420 5TUF FAD 0.00000000006623 0.73161 34.7188
421 5TUF TDC 0.000000003858 0.55267 34.7188
422 2Y6Q I7T 0.00000000001025 0.58763 34.9246
423 2Y6Q FAD 0.000000000004313 0.53407 34.9246
424 3IHG FAD 0.000000005226 0.67353 35.141
425 3IHG VAK 0.04246 0.40563 35.141
426 1YKJ FAD 0.0000000007143 0.57322 35.2792
427 1YKJ PHB 0.0000000007143 0.57322 35.2792
428 3GMB FAD 0.0000000002212 0.69791 36.1446
429 2X3N FAD 0.00000000009748 0.69347 36.5915
430 5EOW FAD 0.000000000006799 0.54121 38.5185
431 5TUK FAD 0.000000007386 0.67354 40.1961
Pocket No.: 2; Query (leader) PDB : 5MZI; Ligand: FYK; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5mzi.bio2) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5MZI; Ligand: FAD; Similar sites found: 438
This union binding pocket(no: 3) in the query (biounit: 5mzi.bio2) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4C3Y FAD 0.000002517 0.4362 1.30152
2 4C3Y ANB 0.000009726 0.43221 1.30152
3 5FI3 NAP 0.01381 0.40114 1.40056
4 5X62 SAH 0.03206 0.41121 1.47783
5 4OOE NDP 0.008453 0.41701 1.48515
6 2HQM FAD 0.0000004998 0.45374 1.51844
7 5GUD CIT 0.006528 0.40202 1.51844
8 5GUD NDP 0.004607 0.40198 1.51844
9 3KLJ FAD 0.000000004428 0.47167 1.55844
10 1MV8 NAD 0.00003621 0.51939 1.6055
11 1MUU NAD 0.00005781 0.51465 1.6055
12 1D1T NAD 0.001427 0.43664 1.60858
13 2ZXI FAD 0.0000009537 0.5432 1.73536
14 5HSA FAS 0.000008704 0.49469 1.73536
15 4MIG G3F 0.00000493 0.44254 1.73536
16 3WLE NAD 0.0005728 0.44202 1.75953
17 3F8D FAD 0.00001797 0.45332 1.85759
18 1E3I CXF 0.00106 0.43192 1.8617
19 2EG5 SAH 0.03972 0.41239 1.88172
20 3OA2 NAD 0.005287 0.42081 1.88679
21 3LU1 NAD 0.00411 0.42293 1.92308
22 5MPT SAH 0.01854 0.42013 1.93237
23 2VVL FAD 0.000003851 0.50721 1.95228
24 4JDR FAD 0.0000003855 0.45313 1.95228
25 4ISS TAR 0.02514 0.43451 1.95228
26 2VVM FAD 0.000002835 0.42956 1.95228
27 1T9D P22 0.04124 0.42551 1.95228
28 3U31 NAD 0.03129 0.40117 2.06897
29 2CVZ NDP 0.003117 0.43578 2.07612
30 3L4S NAD 0.0007229 0.44847 2.08333
31 3L4S 3PG 0.0009148 0.44176 2.08333
32 2VYN NAD 0.00005162 0.50501 2.1148
33 3TLJ SAH 0.01652 0.41155 2.14477
34 4EUE NAI 0.0004428 0.45699 2.15311
35 2FR1 NDP 0.0007298 0.4483 2.1692
36 1P31 EPU 0.02529 0.41349 2.1692
37 5ULP KB1 0.01037 0.41815 2.23881
38 1H5Q NAP 0.004959 0.41723 2.26415
39 4OSP NAP 0.007189 0.4152 2.28137
40 1YXM ADE 0.03385 0.41875 2.31023
41 1W6U NAP 0.006395 0.42756 2.31788
42 4DSG FAD 0.00003783 0.43258 2.38612
43 4DSG UDP 0.00003783 0.43258 2.38612
44 4N49 SAM 0.02467 0.40856 2.38612
45 2Q1W NAD 0.00063 0.44815 2.4024
46 3EGI ADP 0.007062 0.46932 2.42718
47 1K3T BRZ 0.005711 0.41034 2.50696
48 3WGT FAD 0.000003511 0.44608 2.59366
49 3WGT QSC 0.00000455 0.4449 2.59366
50 2R4J 13P 0.00003828 0.42502 2.60304
51 2R4J FAD 0.00003828 0.42502 2.60304
52 2JB2 PHE 0.000006996 0.42068 2.60304
53 2JB2 FAD 0.000006379 0.41911 2.60304
54 1L3I SAH 0.01041 0.41553 2.60417
55 2YG3 FAD 0.000001674 0.52339 2.64901
56 2PGJ N1C 0.01494 0.41354 2.67176
57 1CDO NAD 0.002995 0.43652 2.6738
58 4R6W SAH 0.009851 0.40299 2.71318
59 1CER NAD 0.0001003 0.50028 2.71903
60 1L1E SAH 0.0212 0.4117 2.78746
61 2PK3 A2R 0.01517 0.42143 2.80374
62 3GD4 FAD 0.0000004944 0.49263 2.81996
63 2WPF FAD 0.000005059 0.48419 2.81996
64 2WPF WPF 0.000006255 0.48325 2.81996
65 3NTA FAD 0.00000001716 0.47974 2.81996
66 4BV6 FAD 0.00000005666 0.47596 2.81996
67 3NT6 FAD 0.00000004947 0.46779 2.81996
68 3GD4 NAD 0.0000006741 0.44817 2.81996
69 5MBX SP5 0.000008565 0.44695 2.81996
70 5MBX FAD 0.000008565 0.44695 2.81996
71 1YKF NAP 0.003402 0.42633 2.84091
72 2C7G ODP 0.003752 0.40292 2.85088
73 2C7G FAD 0.003958 0.40292 2.85088
74 1L7E NAI 0.0003659 0.48307 2.86458
75 3ZNN 4WL 0.000005486 0.45609 2.88184
76 3ZNN FAD 0.000005486 0.45609 2.88184
77 1KNR FAD 0.0000001948 0.55686 2.96296
78 2HK9 ATR 0.00001948 0.59823 3.03688
79 2HK9 NAP 0.0002748 0.48137 3.03688
80 1MO9 FAD 0.000003505 0.48043 3.03688
81 1MO9 KPC 0.000003909 0.47976 3.03688
82 1OBB NAD 0.0029 0.44292 3.03688
83 4HA6 FAD 0.000003228 0.43473 3.03688
84 4YNU LGC 0.0000208 0.4265 3.03688
85 4YNU FAD 0.00003558 0.41198 3.03688
86 1ZBQ NAD 0.003217 0.4225 3.0581
87 1U7T NAD 0.008686 0.41408 3.06513
88 2Q7V FAD 0.00000006943 0.47312 3.07692
89 1F8G NAD 0.0006169 0.48023 3.125
90 5HJM MTA 0.039 0.40156 3.125
91 2XWL CTP 0.02407 0.41748 3.13901
92 3CGB FAD 0.00000001357 0.61207 3.2538
93 4MOP 2H5 0.000001525 0.49121 3.2538
94 4Z24 FAD 0.000009786 0.48993 3.2538
95 1H82 FAD 0.000003815 0.47127 3.2538
96 1H82 GZZ 0.000005959 0.45274 3.2538
97 5UAO FAD 0.000002651 0.43182 3.2538
98 4AP3 FAD 0.00008018 0.42291 3.2538
99 4AP3 NAP 0.00008018 0.42291 3.2538
100 1RPN NDP 0.006742 0.40961 3.28358
101 2VFT SOR 0.04076 0.41836 3.31754
102 3GDH SAH 0.01696 0.40855 3.3195
103 4CNK FAD 0.00000002898 0.47465 3.32481
104 5JCM FAD 0.000000457 0.49528 3.32594
105 5JCM ISD 0.0000005041 0.49505 3.32594
106 5JCM NAD 0.0000005041 0.49505 3.32594
107 3EGV SAH 0.006679 0.44535 3.40136
108 4HXY NDP 0.0004428 0.45988 3.42466
109 5DX8 SFG 0.02647 0.40215 3.4384
110 5DXA SFG 0.02726 0.40157 3.4384
111 2OOR NAD 0.0003664 0.49068 3.44828
112 1GZ6 NAI 0.01243 0.40095 3.44828
113 5KMS FAD 0.0000002555 0.44278 3.45679
114 5KMS NAD 0.00002741 0.43732 3.45679
115 5TTJ FAD 0.000007198 0.50388 3.47072
116 1N4W FAD 0.00001469 0.41831 3.47072
117 1NPD NAD 0.001037 0.46287 3.47222
118 2AHR NAP 0.01416 0.40281 3.4749
119 3OJO NAD 0.00001038 0.55704 3.48028
120 3VYW SAM 0.005414 0.43972 3.57143
121 4NTC FAD 0.00000007818 0.56705 3.58209
122 4TM3 FAD 0.00001798 0.45167 3.61174
123 1O5I NAD 0.01336 0.42409 3.61446
124 1W73 NAP 0.003668 0.43836 3.64238
125 5I39 FAD 0.000003506 0.51862 3.67647
126 3CGD COA 0.0000005124 0.50512 3.68764
127 3CGD FAD 0.0000005124 0.50512 3.68764
128 3CGD NAD 0.0000005124 0.50512 3.68764
129 4TXI FAD 0.0000000005033 0.49149 3.68764
130 2BRY FAD 0.0000000008368 0.49114 3.68764
131 1ZMD FAD 0.000000287 0.46213 3.68764
132 1PS9 FAD 0.0000002964 0.45584 3.68764
133 2WET FAD 0.000001847 0.44384 3.68764
134 1COY FAD 0.00000794 0.42049 3.68764
135 1COY AND 0.0001096 0.41843 3.68764
136 4XYB NDP 0.00412 0.41377 3.68764
137 5EB4 FAD 0.00003051 0.40133 3.68764
138 3GFB NAD 0.0004335 0.46951 3.71429
139 2DT5 NAD 0.00008219 0.49656 3.79147
140 1U8X NAD 0.01024 0.4134 3.81356
141 4JNA FAD 0.0000001333 0.55505 3.82353
142 5EZ7 FAD 0.00000679 0.41674 3.82653
143 4XDY NAI 0.005531 0.42499 3.84615
144 4USR FAD 0.000001936 0.4107 3.87812
145 1YQZ FAD 0.000003604 0.46489 3.88128
146 5MQ6 NDP 0.0002327 0.49573 3.90456
147 2E5V FAD 0.00000004924 0.48401 3.90456
148 1GPE FAD 0.000008232 0.48396 3.90456
149 3LAD FAD 0.0000006424 0.45168 3.90456
150 1GEG NAD 0.007679 0.41171 3.90625
151 3SJU NDP 0.0102 0.40445 3.94265
152 5JE8 NAD 0.0004254 0.47659 3.97351
153 2CDU FAD 0.000000006448 0.47977 3.9823
154 1E5Q NDP 0.004017 0.42581 4
155 4YCA NDP 0.000223 0.48529 4.08163
156 1KYQ NAD 0.00001636 0.5752 4.12148
157 2XVF FAD 0.000006792 0.51141 4.12148
158 5U8U FAD 0.00000417 0.46789 4.12148
159 4REP FAD 0.00000116 0.43752 4.12148
160 2XVE FAD 0.00009757 0.42405 4.12148
161 3UCL NAP 0.0001709 0.42247 4.12148
162 3UCL CYH 0.0001623 0.42084 4.12148
163 3UCL FAD 0.0001623 0.42084 4.12148
164 3UOY NAP 0.0002322 0.41776 4.12148
165 3UOY FAD 0.0002322 0.41776 4.12148
166 4RDH AMP 0.000003329 0.61649 4.16667
167 2D5A COA 0.01685 0.41115 4.16667
168 1ZEM NAD 0.0004015 0.47425 4.19847
169 1GET NAP 0.000004566 0.46945 4.22222
170 1GET FAD 0.000004282 0.46848 4.22222
171 2NPX FAD 0.000000252 0.56476 4.25056
172 2NPX NAD 0.00000218 0.47365 4.25056
173 4OBW SAM 0.03485 0.40659 4.28016
174 1GTE FAD 0.000007493 0.45253 4.33839
175 3QJ4 FAD 0.000001443 0.53281 4.38596
176 1V59 FAD 0.00000066 0.45952 4.39331
177 4QTU SAM 0.00521 0.44376 4.44444
178 3OYW TDG 0.01991 0.44368 4.47761
179 4IMO PWZ 0.03254 0.43282 4.54545
180 4YRY FAD 0.0000001058 0.47086 4.55531
181 4YRY NAD 0.000001373 0.46673 4.55531
182 4AZT SAM 0.01883 0.41981 4.55531
183 3S5W FAD 0.0000007045 0.41557 4.55531
184 4J56 FAD 0.000003835 0.43591 4.62107
185 1ELI PYC 0.00001486 0.40783 4.62725
186 1I8T FAD 0.000003151 0.42753 4.63215
187 2AF6 BRU 0.01369 0.45425 4.65116
188 1JNR FAD 0.0000008566 0.49572 4.66667
189 3AB1 FAD 0.00000005083 0.4711 4.72222
190 3EVG SAH 0.0462 0.4005 4.72727
191 3G5S FAD 0.00000005089 0.46147 4.74041
192 3V1Y NAD 0.00003174 0.52186 4.74777
193 4K5S PM0 0.00005908 0.45682 4.77223
194 4K5S FAD 0.00005178 0.43952 4.77223
195 5JJR SAH 0.02236 0.41612 4.77223
196 4D04 FAD 0.00009582 0.41538 4.77223
197 4D04 NAP 0.00009582 0.41538 4.77223
198 4UP3 FAD 0.0000007416 0.44624 4.77707
199 4G74 FAD 0.000000009932 0.62203 4.78088
200 4G74 UQ5 0.0000001179 0.53897 4.78088
201 3ORF NAD 0.00281 0.43232 4.78088
202 4IAW LIZ 0.03276 0.4273 4.78723
203 4KRI SAH 0.01716 0.41605 4.84988
204 1Q1R FAD 0.00000009305 0.58089 4.87239
205 1E3W NAD 0.003499 0.42582 4.98084
206 1N2X SAM 0.02285 0.40271 4.98339
207 1F3L SAH 0.01993 0.41033 4.98442
208 1OMO NAD 0.00007883 0.51282 4.98915
209 1U1J MET 0.02223 0.42592 4.98915
210 1LSS NAD 0.000001927 0.60187 5
211 1E6W NAD 0.008614 0.40964 5
212 2HNK SAH 0.007887 0.43202 5.02092
213 3WMX NAD 0.002366 0.44095 5.02793
214 3ITJ FAD 0.000004945 0.44712 5.02959
215 2ZIF SAM 0.02066 0.41496 5.05051
216 3L9W AMP 0.0001838 0.47539 5.08475
217 3L9W GSH 0.0004642 0.46508 5.08475
218 5BR7 FLC 0.0000315 0.43228 5.08906
219 5BR7 FAD 0.00003408 0.43129 5.08906
220 4ZRN NAD 0.002353 0.42324 5.12821
221 1FL2 FAD 0.0000002462 0.55709 5.16129
222 3RNM FAD 0.0000004309 0.53377 5.17241
223 1BXK NAD 0.0004381 0.46613 5.20607
224 3QFA FAD 0.000001561 0.44127 5.20607
225 1QMG APX 0.005002 0.43521 5.20607
226 4O0L NDP 0.006308 0.41297 5.20607
227 2V3A FAD 0.00000001616 0.47926 5.20833
228 3NYC IAR 0.000000632 0.50605 5.24934
229 3NYC FAD 0.000000632 0.50605 5.24934
230 4RPL 3UC 0.00004031 0.4404 5.26316
231 4RPL FAD 0.00003646 0.43918 5.26316
232 2JAP NDP 0.0115 0.40233 5.26316
233 2JAH NDP 0.01242 0.40096 5.26316
234 5K8S CMP 0.04715 0.40271 5.40541
235 1FEC FAD 0.0000009491 0.45693 5.42299
236 4FFG LBS 0.0251 0.42793 5.42299
237 3QVP FAD 0.000006765 0.42625 5.42299
238 1LJ8 NAD 0.02748 0.40382 5.42299
239 2UYQ SAM 0.03946 0.42514 5.48387
240 1HYH NAD 0.00003152 0.50649 5.50162
241 3HDY FDA 0.00002037 0.43802 5.54156
242 3HDY FAD 0.00002187 0.43714 5.54156
243 3HDY GDU 0.00002186 0.43476 5.54156
244 3CTY FAD 0.000000025 0.49482 5.64263
245 4ZCC NAI 0.000001977 0.4904 5.65476
246 4ZCC FAD 0.000001977 0.4904 5.65476
247 5HZX 2GE 0.04911 0.41389 5.68182
248 2VDV SAM 0.009695 0.44443 5.69106
249 5FJN BE2 0.000004316 0.43738 5.70175
250 5FJN FAD 0.000003465 0.43172 5.70175
251 5ODQ FAD 0.0000001522 0.55303 5.71429
252 4OPC PGT 0.0000002439 0.53207 5.73951
253 4OPC FDA 0.0000002418 0.52722 5.73951
254 4J4H 1J1 0.002474 0.40152 5.79151
255 4J4H NAI 0.007439 0.40119 5.79151
256 3AYI HCI 0.000004881 0.45199 5.82524
257 3AYI FAD 0.00000565 0.44816 5.82524
258 5F2T PLM 0.02795 0.41724 5.84416
259 1Y8Q ATP 0.000007568 0.55825 5.85683
260 1QO8 FAD 0.00000005308 0.48056 5.85683
261 2DKH 3HB 0.0002796 0.42536 5.85683
262 5MDH NAD 0.007224 0.4175 5.85683
263 2DKH FAD 0.0007455 0.40474 5.85683
264 1WDK NAD 0.00007337 0.51849 5.89744
265 1Z82 NDP 0.005603 0.4222 5.97015
266 1HGX 5GP 0.03308 0.42706 6.01093
267 4II2 ATP 0.000002566 0.59602 6.0241
268 1NAA 6FA 0.000005503 0.49565 6.07375
269 1NAA ABL 0.00001245 0.46038 6.07375
270 2IID PHE 0.000003118 0.45934 6.07375
271 2IID FAD 0.000003118 0.45934 6.07375
272 5G3U FDA 0.0000006209 0.43961 6.07375
273 5G3U ITW 0.000003297 0.43858 6.07375
274 1J1R ADE 0.03389 0.43268 6.13027
275 5VN0 FAD 0.00000005277 0.58567 6.29067
276 5TS5 FAD 0.0000007096 0.53318 6.29067
277 4EIP FAD 0.000000005333 0.52231 6.29067
278 4EIP K2C 0.000000005333 0.52231 6.29067
279 5VN0 NAI 0.000005104 0.46049 6.29067
280 4U8P FDA 0.000008481 0.43544 6.29067
281 4U8P UDP 0.000009189 0.42988 6.29067
282 5JCA NDP 0.00000155 0.47763 6.33803
283 5JCA FAD 0.00000008979 0.47226 6.33803
284 4EMI NAD 0.000001405 0.47785 6.34146
285 4EMI FAD 0.00000005524 0.46683 6.34146
286 2DC1 NAD 0.0009338 0.45534 6.35593
287 1KJ1 MAN 0.02123 0.43137 6.42202
288 3OFK SAH 0.003907 0.44318 6.48148
289 1X14 NAD 0.00003577 0.55831 6.48379
290 5JWC FAD 0.000000002596 0.6494 6.50759
291 1QAN SAH 0.01542 0.41553 6.55738
292 3KB6 NAD 0.001562 0.44583 6.58683
293 5BVA FAD 0.0000000001923 0.64433 6.60147
294 5WGR FAD 0.000000008676 0.60526 6.72451
295 1YY5 FAD 0.000001359 0.51338 6.72451
296 1RSG FAD 0.0000009933 0.44753 6.72451
297 5GZ6 NDP 0.0008872 0.47669 6.74847
298 5GZ6 7C3 0.001554 0.45829 6.74847
299 1EQ2 NAP 0.009155 0.40855 6.77419
300 1J49 NAD 0.0001265 0.48872 6.90691
301 4DPL NAP 0.009124 0.40861 6.96379
302 1BZL FAD 0.00003348 0.45899 7.15835
303 4RSL FAD 0.00001069 0.40449 7.19101
304 2V3B FAD 0.00000002832 0.46986 7.27273
305 2YVJ FAD 0.0000002328 0.44779 7.33945
306 2D2I NAP 0.0002845 0.49178 7.36842
307 2ZHL NAG GAL GAL NAG 0.04143 0.4146 7.43243
308 1X87 NAD 0.00007406 0.5183 7.44102
309 4EMJ FAD 0.0000001039 0.57069 7.47664
310 3LKZ SFG 0.01301 0.42465 7.47664
311 1Q9I FAD 0.0000002074 0.49707 7.59219
312 1Q9I TEO 0.0000002074 0.49707 7.59219
313 3NKS FAD 0.000001922 0.42555 7.59219
314 4MO2 FAD 0.000003554 0.42424 7.6087
315 4MO2 FDA 0.000004313 0.41952 7.6087
316 1VQW FAD 0.0000007916 0.41824 7.65864
317 2RGJ FAD 0.0000000000407 0.73173 7.71144
318 5H81 NAP 0.002069 0.45595 7.71208
319 2B9W FAD 0.00001158 0.44537 7.78302
320 5LD5 NAD 0.0002035 0.49838 7.80911
321 2GV8 FAD 0.0000009869 0.55458 7.82998
322 2GV8 NDP 0.003605 0.43869 7.82998
323 2GVC FAD 0.0000007462 0.41906 7.82998
324 4X9M FAD 0.000002362 0.4327 7.89474
325 2EJU SAH 0.01251 0.42853 7.93651
326 3JQB NAP 0.002988 0.43384 7.98611
327 4CM8 NAP 0.002846 0.43209 7.98611
328 4CMI NAP 0.002898 0.43176 7.98611
329 5JCJ NAP 0.003 0.43113 7.98611
330 4CM4 NAP 0.003104 0.43051 7.98611
331 5JDC NAP 0.003204 0.42993 7.98611
332 3JQ8 NAP 0.003056 0.42825 7.98611
333 3BMN NAP 0.003236 0.42722 7.98611
334 3JQG NAP 0.005123 0.42387 7.98611
335 3JQ7 NAP 0.01072 0.41018 7.98611
336 5CAE COA 0.001234 0.45949 8.10127
337 5CAE SIN 0.007043 0.40674 8.10127
338 1FWV SGA MAG FUC 0.01175 0.46379 8.20895
339 3B20 NAD 0.0002847 0.48793 8.25959
340 4WVW SLT 0.008563 0.45635 8.33333
341 2PXX SAH 0.008604 0.43329 8.37209
342 3H2B SAH 0.007777 0.4354 8.37438
343 2IVD FAD 0.000003781 0.52446 8.45987
344 3ICT ADP 0.00000006242 0.72277 8.67679
345 3ICT FAD 0.00000003933 0.59484 8.67679
346 3ICS FAD 0.000000009824 0.48412 8.67679
347 3ICR FAD 0.00000001085 0.47893 8.67679
348 3AD8 NAD 0.00000007263 0.44943 8.67679
349 4XQC NAD 0.0004493 0.42977 8.67679
350 4XQC 13D 0.0005225 0.42543 8.67679
351 3AD8 FAD 0.0001209 0.42542 8.67679
352 3AD8 PYC 0.0001209 0.42542 8.67679
353 2Q46 NAP 0.003389 0.42891 8.69565
354 3DXY SAM 0.005768 0.46027 8.7156
355 1P77 ATR 0.00002103 0.61239 8.82353
356 1NYT NAP 0.001851 0.44854 8.85609
357 2RGO FAD 0.00001992 0.40148 8.89621
358 4YSX FAD 0.00000002652 0.4812 8.97436
359 5J7X FAD 0.000006988 0.4156 9.11063
360 4FWE FAD 0.000002139 0.50979 9.17085
361 5NBW 8SK 0.02779 0.42393 9.34579
362 2F5Z FAD 0.0000004113 0.45847 9.375
363 4GUS FAD 0.000002604 0.50377 9.40722
364 4GUT FAD 0.000001838 0.45095 9.40722
365 4HSU FAD 0.000003855 0.4374 9.40722
366 4YMH SAH 0.005223 0.44046 9.58333
367 3FG2 FAD 0.0000001282 0.59375 9.65347
368 4M52 FAD 0.0000006374 0.45173 9.65665
369 2A8X FAD 0.000000972 0.52159 9.69828
370 3SQP FAD 0.000008721 0.50256 9.76139
371 2CVQ NDP 0.001739 0.44106 9.78593
372 1D4D FAD 0.00000006303 0.48123 9.79021
373 3A4T SFG 0.005141 0.43766 9.85401
374 3GDN HBX 0.00002684 0.42622 10.1952
375 4IV9 FAD 0.000005524 0.4247 10.1952
376 3GDN FAD 0.00003334 0.40611 10.1952
377 4K28 NAD 0.0001397 0.49783 10.4089
378 4GKV NAD 0.001779 0.42797 10.4167
379 1E1M NAP 0.00000109 0.46962 10.4348
380 1E1M FAD 0.00000109 0.46962 10.4348
381 1E6E FAD 0.00000009091 0.45261 10.4348
382 2G5C NAD 0.0001092 0.48792 10.6762
383 3NTD FAD 0.0000000132 0.48215 10.846
384 1XHC FAD 0.00000002443 0.60725 10.8992
385 3FPF TNA 0.004435 0.40258 11.0738
386 3FPF MTA 0.004435 0.40258 11.0738
387 5N53 8NB 0.01064 0.46034 11.2821
388 2I3G NAP 0.00103 0.44498 11.3636
389 3GF4 UPG 0.00001606 0.44811 11.7949
390 3GF4 FAD 0.0000954 0.43109 11.7949
391 3LXD FAD 0.00000002529 0.4641 11.9306
392 2RAB FAD 0.0000004891 0.52847 12.1475
393 2RAB NAD 0.000003575 0.44774 12.1475
394 1MAI I3P 0.03062 0.43259 12.2137
395 2Q0L FAD 0.0000003226 0.54529 12.2186
396 2Q0L NAP 0.0003578 0.51351 12.2186
397 5EVY FAD 0.0000000009979 0.73938 12.5571
398 5EVY SAL 0.0001239 0.57253 12.5571
399 5DG2 GAL GLC 0.03466 0.40965 12.5926
400 5J60 FAD 0.0000002808 0.45471 12.8125
401 2GAG NAD 0.0000001144 0.45411 13.1313
402 2GAG FOA 0.00004077 0.4118 13.1313
403 2GAG FAD 0.00004515 0.41045 13.1313
404 2C29 NAP 0.01016 0.40889 13.6499
405 4CQM NAP 0.006662 0.41426 13.7931
406 4CJX NAP 0.0005363 0.47217 14.4201
407 5E8J SAH 0.01287 0.43803 14.4231
408 1YRO UDP 0.01561 0.44259 14.6341
409 2I7C AAT 0.002279 0.42379 15.1943
410 2YMZ LAT 0.01772 0.41891 15.3846
411 1A78 TDG 0.03363 0.43149 15.6716
412 1N5S ADL 0.03858 0.41002 16.0714
413 5BUK FAD 0.00000000005811 0.56512 16.2222
414 2CUL FAD 0.000001091 0.42387 16.8103
415 2QA1 FAD 0.00008339 0.43623 16.9197
416 2GMH FAD 0.00000001896 0.58881 17.5705
417 3OZ2 FAD 0.000000001266 0.63521 18.3879
418 1DJN ADP 0.00000002828 0.67345 19.9566
419 1O94 ADP 0.00000001545 0.42688 19.9566
420 2PV7 NAD 0.0006067 0.4633 20.4698
421 2BOS GLA GAL GLC NBU 0.006047 0.47395 20.5882
422 2BOS GLA GAL GLC 0.007546 0.46709 20.5882
423 2Z3Y F2N 0.000002651 0.43919 26.6811
424 3E1T FAD 0.0000000001887 0.54715 27.7657
425 1PN0 IPH 0.0000000003131 0.55922 31.4534
426 1PN0 FAD 0.0000000003472 0.55508 31.4534
427 5TUF FAD 0.00000000006084 0.73161 34.7188
428 5TUF TDC 0.000000003261 0.55349 34.7188
429 2Y6Q I7T 0.000000000009203 0.5942 34.9246
430 2Y6Q FAD 0.000000000003935 0.53961 34.9246
431 3IHG FAD 0.000000004868 0.67353 35.141
432 3IHG VAK 0.04131 0.40563 35.141
433 1YKJ FAD 0.0000000005879 0.57923 35.2792
434 1YKJ PHB 0.0000000005879 0.57923 35.2792
435 3GMB FAD 0.0000000002033 0.69791 36.1446
436 2X3N FAD 0.00000000008908 0.69347 36.5915
437 5EOW FAD 0.000000000006194 0.54679 38.5185
438 5TUK FAD 0.000000006894 0.67354 40.1961
Pocket No.: 4; Query (leader) PDB : 5MZI; Ligand: FYK; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5mzi.bio1) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5MZI; Ligand: FYK; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5mzi.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5MZI; Ligand: FAD; Similar sites found: 27
This union binding pocket(no: 6) in the query (biounit: 5mzi.bio1) has 57 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FW9 SLX 0.02723 0.41126 1.51844
2 5CJF 520 0.04002 0.41479 2.50896
3 5FU3 BGC BGC BGC 0.03782 0.42871 2.83019
4 4X60 3XV 0.003492 0.40374 3.14286
5 4X60 SFG 0.004071 0.40321 3.14286
6 2YVF NAD 0.005179 0.40391 3.18627
7 2YVF FAD 0.005385 0.40265 3.18627
8 2GC0 PAN 0.02421 0.41672 3.19149
9 4EE7 PIS 0.01306 0.46618 3.28947
10 3MF2 AMP 0.01188 0.42012 3.46821
11 4AT0 FAD 0.003467 0.40044 3.90456
12 2V0U FMN 0.02186 0.41597 4.10959
13 5DCH 1YO 0.0459 0.42302 4.6875
14 2QES ADE 0.01973 0.44615 4.98084
15 2OQ5 BEN 0.0343 0.42955 5.17241
16 1LFO OLA 0.04282 0.40153 5.46875
17 4K55 H6P 0.0005788 0.52625 5.64516
18 5E89 TD2 0.02087 0.4231 6.47482
19 2CJW GDP 0.03794 0.41945 7.29167
20 1I7M PUT 0.04301 0.40915 8.95522
21 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.009547 0.4336 9.73451
22 4HK8 XYP XYP XYP XYP XYP XYP 0.02234 0.40738 10.0529
23 3A16 PXO 0.006933 0.43977 13.4048
24 5SVV FMN 0.04001 0.4004 14.5985
25 3T50 FMN 0.04275 0.40156 15.625
26 3KFF ZBT 0.009814 0.46051 17.284
27 3KFF XBT 0.009814 0.46051 17.284
Pocket No.: 7; Query (leader) PDB : 5MZI; Ligand: FYK; Similar sites found: 32
This union binding pocket(no: 7) in the query (biounit: 5mzi.bio1) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FW9 SLX 0.02805 0.41126 1.51844
2 1XKV ATP 0.04482 0.40962 1.51844
3 5CJF 520 0.04109 0.41479 2.50896
4 5FU3 BGC BGC BGC 0.03875 0.42871 2.83019
5 2XWL CTP 0.0232 0.41829 3.13901
6 4X60 3XV 0.003659 0.40374 3.14286
7 4X60 SFG 0.004261 0.40321 3.14286
8 5F8F SFG 0.03892 0.40983 3.18302
9 2YVF NAD 0.005863 0.40083 3.18627
10 2YVF FAD 0.005753 0.40043 3.18627
11 2GC0 PAN 0.02493 0.41672 3.19149
12 4EE7 PIS 0.01338 0.46618 3.28947
13 3MF2 AMP 0.01228 0.42012 3.46821
14 2V0U FMN 0.02253 0.41597 4.10959
15 5DCH 1YO 0.04701 0.42302 4.6875
16 2QES ADE 0.02021 0.44615 4.98084
17 2OQ5 BEN 0.03515 0.42955 5.17241
18 2JAH NDP 0.012 0.40158 5.26316
19 1LFO OLA 0.04406 0.40153 5.46875
20 4K55 H6P 0.0005961 0.52625 5.64516
21 4J4H 1J1 0.002688 0.40038 5.79151
22 5E89 TD2 0.02149 0.4231 6.47482
23 2CJW GDP 0.03894 0.41945 7.29167
24 1I7M PUT 0.04393 0.40915 8.95522
25 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.009859 0.4336 9.73451
26 4HK8 XYP XYP XYP XYP XYP XYP 0.02306 0.40738 10.0529
27 3A16 PXO 0.0071 0.43977 13.4048
28 5SVV FMN 0.04119 0.4004 14.5985
29 3T50 FMN 0.04399 0.40156 15.625
30 3KFF XBT 0.01009 0.46051 17.284
31 3KFF ZBT 0.01009 0.46051 17.284
32 5EFW FMN 0.02358 0.41499 20
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