Receptor
PDB id Resolution Class Description Source Keywords
5WGR 2.36 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF WILD-TYPE MALA', PREMALBRANCHEAMIDE COM MALBRANCHEA AURANTIACA FLAVIN-DEPENDENT HALOGENASE MALBRANCHEAMIDE ZINC ZN OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: FUNCTION AND STRUCTURE OF MALA/MALA', ITERATIVE HAL FOR LATE-STAGE C-H FUNCTIONALIZATION OF INDOLE ALKA J. AM. CHEM. SOC. V. 139 12060 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PM7 A:711;
A:712;
Valid;
Valid;
none;
none;
submit data
335.443 C21 H25 N3 O CC1(c...
FAD A:701;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
CD A:702;
A:705;
A:703;
A:704;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
SO4 A:708;
A:707;
A:709;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:706;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
CL A:710;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WGR 2.36 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF WILD-TYPE MALA', PREMALBRANCHEAMIDE COM MALBRANCHEA AURANTIACA FLAVIN-DEPENDENT HALOGENASE MALBRANCHEAMIDE ZINC ZN OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: FUNCTION AND STRUCTURE OF MALA/MALA', ITERATIVE HAL FOR LATE-STAGE C-H FUNCTIONALIZATION OF INDOLE ALKA J. AM. CHEM. SOC. V. 139 12060 2017
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5WGR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5WGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5WGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5WGU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5WGT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5WGS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5WGW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5WGX - SO4 MB5 n/a n/a
9 5WGV - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5WGR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5WGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5WGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5WGU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5WGT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5WGS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5WGW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5WGX - SO4 MB5 n/a n/a
9 5WGV - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5WGR - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5WGY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 5WGZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 5WGU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5WGT - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5WGS - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5WGW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 5WGX - SO4 MB5 n/a n/a
9 5WGV - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PM7; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PM7 1 1
2 IM7 0.717647 0.931035
3 MB5 0.709302 0.931035
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 : 5WGR; Ligand: PM7; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5wgr.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5WGR; Ligand: PM7; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 5wgr.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VVL FAD 0.02549 0.40054 2.62626
2 4I42 1HA 0.01255 0.403 4.91228
3 3LJU IP9 0.008222 0.43402 5.69948
4 5K8V 6RE 0.03512 0.40385 6.92521
5 2R0D 4IP 0.008418 0.41995 12.6801
Pocket No.: 3; Query (leader) PDB : 5WGR; Ligand: FAD; Similar sites found: 371
This union binding pocket(no: 3) in the query (biounit: 5wgr.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UWK URO 0.0004444 0.42566 0.718133
2 1UWK NAD 0.0004444 0.42566 0.718133
3 3AYI HCI 0.000003738 0.50558 0.89955
4 3AYI FAD 0.000003473 0.50558 0.89955
5 4DSG UDP 0.00003236 0.47824 1.03306
6 4DSG FAD 0.00003236 0.47824 1.03306
7 5TTJ FAD 0.000001522 0.50046 1.22449
8 2E5V FAD 0.0000002327 0.53589 1.27119
9 3NT6 FAD 0.0000008668 0.50517 1.39373
10 3NTA FAD 0.000001191 0.50073 1.39373
11 3NTD FAD 0.000000993 0.50325 1.41593
12 4BV6 FAD 0.0000001466 0.53964 1.41988
13 2B4R NAD 0.0001836 0.40957 1.44928
14 2RGO FAD 0.0000002091 0.52207 1.4827
15 3ICS FAD 0.0000003015 0.52065 1.53061
16 3ICR FAD 0.0000002787 0.51825 1.53061
17 3ICT FAD 0.0000003696 0.51423 1.53061
18 3ICS ADP 0.0000001568 0.40647 1.53061
19 3ICT ADP 0.0000003616 0.40311 1.53061
20 1GPE FAD 0.000003848 0.4968 1.53322
21 4CNK FAD 0.00000002027 0.55917 1.53453
22 2RGH FAD 0.0006844 0.44574 1.57618
23 5EZ7 FAD 0.000001871 0.49745 1.78571
24 5J7X FAD 0.000005818 0.47793 1.82149
25 5JWC FAD 0.000002346 0.48276 1.91939
26 1ZK7 FAD 0.002498 0.42937 1.92719
27 3GLC R5P 0.02461 0.41395 2.0339
28 1FEC FAD 0.0000005337 0.52776 2.04082
29 5M67 3D1 0.001265 0.41279 2.08768
30 5M67 NAD 0.001424 0.411 2.08768
31 5M67 ADE 0.001794 0.4075 2.08768
32 2XVF FAD 0.0000006744 0.50471 2.15517
33 3GMB FAD 0.00000002113 0.54307 2.16867
34 5EB4 FAD 0.000005836 0.48391 2.25564
35 2FJK 13P 0.04344 0.40453 2.29508
36 1GEE NAD 0.006384 0.40104 2.29885
37 2XVE FAD 0.000005478 0.50594 2.37069
38 3TLJ SAH 0.006745 0.41536 2.41287
39 1GET FAD 0.000001056 0.53667 2.44444
40 1GET NAP 0.000001191 0.53667 2.44444
41 3ABI NAD 0.0001407 0.40716 2.46575
42 5EOW FAD 0.00000006395 0.52705 2.46914
43 3CGB FAD 0.0000002476 0.52009 2.5
44 4RPL 3UC 0.00001529 0.4953 2.50627
45 4RPL FAD 0.00001778 0.49031 2.50627
46 1YQZ FAD 0.000001381 0.52639 2.51142
47 2Y6Q I7T 0.000000008153 0.59061 2.51256
48 2Y6Q FAD 0.000000001185 0.57173 2.51256
49 3WMX NAD 0.005854 0.40986 2.51397
50 2V6O FAD 0.001493 0.45644 2.51678
51 3GD4 NAD 0.00000108 0.54276 2.54403
52 3GD4 FAD 0.0000007133 0.53557 2.54403
53 1Q1R FAD 0.0000001164 0.55381 2.5522
54 1NAA 6FA 0.000009024 0.46469 2.5878
55 1NAA ABL 0.000009264 0.43314 2.5878
56 1RYI GOA 0.0002707 0.46438 2.6178
57 1RYI FAD 0.0006103 0.44874 2.6178
58 2VVM FAD 0.000003701 0.4906 2.62626
59 2VVL FAD 0.0000045 0.48913 2.62626
60 3QJ4 FAD 0.0000006328 0.52399 2.63158
61 3ITJ FAD 0.000002545 0.50799 2.66272
62 4RQU NAD 0.00006991 0.41156 2.66667
63 1CF2 NAP 0.00004218 0.41325 2.67062
64 1QMG APX 0.001374 0.4454 2.67176
65 4R6W PC 0.002646 0.40414 2.71318
66 3HVJ 705 0.001051 0.40053 2.71493
67 4XQC 13D 0.001942 0.40261 2.73684
68 1KNR FAD 0.0000005484 0.51865 2.77778
69 3OFK SAH 0.003329 0.43184 2.77778
70 3OJO NAD 0.0000217 0.40432 2.78422
71 2R4J FAD 0.000000289 0.54359 2.79441
72 2R4J 13P 0.000000289 0.54359 2.79441
73 1ELI PYC 0.00001721 0.46237 2.82776
74 5HJM MTA 0.00438 0.43306 2.84091
75 2I3G NAP 0.002188 0.41676 2.84091
76 1DJN ADP 0.00000009635 0.4698 2.84858
77 3GGO ENO 0.001303 0.40552 2.86624
78 3GGO NAI 0.001303 0.40552 2.86624
79 2Z3Y F2N 0.000001389 0.50933 2.87009
80 2HQM FAD 0.0000002334 0.53433 2.92276
81 2JHF NAD 0.01635 0.40667 2.94118
82 4JDR FAD 0.000000108 0.54415 2.95359
83 4FWE FAD 0.000001009 0.51408 2.9985
84 1J0X NAD 0.0004681 0.4228 3.01205
85 5MBX FAD 0.00000206 0.51585 3.01811
86 5MBX SP5 0.00000206 0.51585 3.01811
87 2RAB NAD 0.0000008814 0.53953 3.02376
88 2RAB FAD 0.0000003038 0.5334 3.02376
89 4DMG SAM 0.001196 0.481 3.05344
90 4BJZ P3A 0.0004416 0.47672 3.06604
91 4BJZ FAD 0.0004416 0.47672 3.06604
92 3OND ADN 0.001802 0.40654 3.07377
93 3OND NAD 0.001802 0.40654 3.07377
94 4OPC PGT 0.0000000216 0.62727 3.09051
95 4OPC FDA 0.00000002315 0.62068 3.09051
96 4X60 3XV 0.0009398 0.40925 3.10078
97 4X60 SFG 0.001437 0.40508 3.10078
98 3UOY NAP 0.000001582 0.53123 3.11927
99 3UOY FAD 0.000001582 0.53123 3.11927
100 4RDH AMP 0.00004188 0.54239 3.125
101 3SQP FAD 0.000008927 0.54615 3.13808
102 1GTE FAD 0.000009343 0.41725 3.14843
103 5HSA FAS 0.000003519 0.49276 3.16742
104 5XVQ SAH 0.01032 0.40732 3.16901
105 1H82 FAD 0.0000008377 0.53084 3.17797
106 1H82 GZZ 0.000001187 0.53084 3.17797
107 4Z24 FAD 0.00001111 0.47712 3.22086
108 4JNA FAD 0.0000006082 0.52015 3.23529
109 2NVK FAD 0.0008315 0.44363 3.27869
110 1VQW FAD 0.000000281 0.49951 3.28228
111 3LU1 NAD 0.002246 0.41887 3.2967
112 1C0I FAD 0.01228 0.40267 3.30579
113 1C0I BE2 0.01228 0.40267 3.30579
114 4MOP 2H5 0.00002189 0.47745 3.31754
115 1NYT NAP 0.004119 0.4189 3.32103
116 1KEW NAD 0.00316 0.40061 3.3241
117 3GF4 FAD 0.00003068 0.41639 3.33333
118 3GF4 UPG 0.00002097 0.41345 3.33333
119 3QVP FAD 0.000009095 0.48139 3.43053
120 5TUK FAD 0.0000008732 0.4646 3.43137
121 1Y8Q ATP 0.00001654 0.52394 3.4375
122 1MO9 KPC 0.0000004029 0.56299 3.44168
123 1MO9 FAD 0.000000408 0.56193 3.44168
124 2DKH 3HB 0.0008137 0.44177 3.44288
125 2DKH FAD 0.0007329 0.43605 3.44288
126 4J4H NAI 0.0008331 0.41723 3.4749
127 4J4H 1J1 0.0008331 0.41723 3.4749
128 1Q9I TEO 0.0000002318 0.55184 3.50263
129 1Q9I FAD 0.0000002318 0.55184 3.50263
130 2B9W FAD 0.000004415 0.5052 3.53774
131 4ZCC NAI 0.000004767 0.49961 3.57143
132 4ZCC FAD 0.000004767 0.49961 3.57143
133 4O0L NDP 0.005462 0.40139 3.63636
134 5JE8 NAD 0.0005206 0.45657 3.64238
135 2V3A FAD 0.0000001694 0.52927 3.64583
136 3WV8 ATP 0.00001906 0.40086 3.66972
137 4QTU SAM 0.0005801 0.47336 3.7037
138 2C7G FAD 0.008422 0.4161 3.72807
139 2C7G ODP 0.008119 0.416 3.72807
140 1XDS SAM 0.005298 0.4439 3.74332
141 1V8B NAD 0.0007339 0.40345 3.75783
142 5G3U FDA 0.000002884 0.48866 3.78251
143 5G3U ITW 0.000009278 0.48237 3.78251
144 4MO2 FDA 0.000008761 0.47012 3.80435
145 4MO2 FAD 0.00001115 0.46931 3.80435
146 1E3W NAD 0.005075 0.40496 3.83142
147 4REP FAD 0.0000002581 0.52636 3.83838
148 1PS9 FAD 0.000001644 0.50399 3.89805
149 1GEG NAD 0.006691 0.40023 3.90625
150 1PN0 IPH 0.00000006025 0.56343 3.90977
151 1PN0 FAD 0.00000005481 0.56343 3.90977
152 1PL6 572 0.0002493 0.40626 3.93258
153 4HA6 FAD 0.000007112 0.48505 3.93701
154 2GMH FAD 0.00000000665 0.57689 3.93836
155 1JNR FAD 0.000003423 0.52423 4
156 4AP3 FAD 0.00000308 0.51493 4.00729
157 4AP3 NAP 0.00000308 0.51493 4.00729
158 5O4J SAH 0.0003471 0.40882 4.0146
159 5O4J 9KH 0.0003471 0.40882 4.0146
160 5O4J PJL 0.0003909 0.40414 4.0146
161 1U8X NAD 0.004997 0.4127 4.02542
162 3HDY FDA 0.000028 0.4814 4.03023
163 3HDY GDU 0.00002963 0.4814 4.03023
164 3HDY FAD 0.00003159 0.47951 4.03023
165 3GDN HBX 0.00001407 0.48312 4.03071
166 3GDN FAD 0.00001706 0.47078 4.03071
167 4D04 FAD 0.000004539 0.51082 4.05904
168 4D04 NAP 0.000004539 0.51082 4.05904
169 4TXI FAD 0.000000004961 0.55342 4.06504
170 2VDV SAM 0.0005325 0.4936 4.06504
171 4M52 FAD 0.000000231 0.53449 4.07725
172 2A8X FAD 0.0000002919 0.51185 4.09483
173 4NTD FAD 0.005901 0.40829 4.11765
174 4UP3 FAD 0.000002921 0.49408 4.14013
175 1COY AND 0.00008164 0.46112 4.14201
176 1COY FAD 0.00004612 0.45481 4.14201
177 1V59 FAD 0.00000007163 0.55647 4.1841
178 1V59 NAD 0.000000006103 0.43368 4.1841
179 3VPH OXM 0.0004051 0.40714 4.19355
180 2QA1 FAD 0.0000471 0.48285 4.2
181 1VDC FAD 0.006919 0.41402 4.2042
182 4RL4 PPV 0.04596 0.40111 4.24528
183 4RSL FAD 0.0000278 0.44879 4.26966
184 1D1T NAD 0.0002165 0.40665 4.28954
185 2JB2 FAD 0.000001313 0.50271 4.29448
186 2JB2 PHE 0.000001623 0.5027 4.29448
187 3QFA FAD 0.0000002102 0.53588 4.31034
188 4MIG G3F 0.000003762 0.50086 4.32099
189 4J36 1HR 0.000000022 0.57096 4.33735
190 4J36 FAD 0.000000005641 0.55586 4.33735
191 1N4W FAD 0.00002315 0.4675 4.36508
192 3NKS FAD 0.0000002753 0.51837 4.40252
193 2WPF WPF 0.000002582 0.54296 4.44444
194 2WPF FAD 0.000002839 0.53936 4.44444
195 4AT0 FAD 0.003309 0.42645 4.5098
196 4C3Y FAD 0.00001102 0.47593 4.5283
197 4C3Y ANB 0.00001789 0.47496 4.5283
198 2IVD FAD 0.00000009813 0.56081 4.60251
199 4YUW S4M 0.008498 0.40886 4.60526
200 4YUW 4JU 0.008717 0.40886 4.60526
201 1I8T FAD 0.000009047 0.47493 4.63215
202 2CDU FAD 0.0000001399 0.52405 4.64602
203 2CDU ADP 0.000000262 0.42731 4.64602
204 2F1K NAP 0.00007064 0.40378 4.6595
205 1O94 ADP 0.0000001678 0.46919 4.6875
206 5KMS FAD 0.0000006116 0.50413 4.69136
207 5KMS NAD 0.00000826 0.49757 4.69136
208 2VHW NAI 0.0006255 0.40415 4.77454
209 4G74 FAD 0.00001024 0.48853 4.78088
210 4G74 UQ5 0.00003335 0.43374 4.78088
211 1MUU NAD 0.00006187 0.40641 4.81651
212 1MV8 NAD 0.00009165 0.40241 4.81651
213 3L9W AMP 0.00002904 0.43241 4.84262
214 3L9W GSH 0.00006662 0.41407 4.84262
215 4IV9 FAD 0.0000009427 0.51069 4.8474
216 2NPX FAD 0.0000007482 0.52529 4.9217
217 2NPX NAD 0.000002557 0.43429 4.9217
218 1REO FAD 0.004508 0.41373 4.93827
219 1QO8 FAD 0.0000001862 0.53768 4.947
220 5TS5 FAD 0.0000002649 0.52454 4.95868
221 3S5W FAD 0.0000002906 0.49035 4.9676
222 5U8U FAD 0.0000006181 0.54414 4.9896
223 2IID FAD 0.0000006653 0.53323 5.02008
224 2IID PHE 0.0000006653 0.53323 5.02008
225 2BRY FAD 0.000000002319 0.56791 5.03018
226 3OU2 SAH 0.004721 0.41641 5.04587
227 1ZMD FAD 0.00000007253 0.55322 5.06329
228 1ZMD NAI 0.0000003371 0.46358 5.06329
229 1D4D FAD 0.0000001218 0.54551 5.06993
230 4TXE 38F 0.01845 0.41343 5.10204
231 3LZW FAD 0.001677 0.42883 5.12048
232 3LZW NAP 0.004378 0.42883 5.12048
233 1NVM NAD 0.0002867 0.40635 5.12821
234 3GFB NAD 0.0004922 0.45095 5.14286
235 1E1M NAP 0.000001863 0.51626 5.21739
236 1E1M FAD 0.000001863 0.51626 5.21739
237 3UCL NAP 0.000007678 0.50708 5.2356
238 3UCL CYH 0.000006641 0.50671 5.2356
239 3UCL FAD 0.000006641 0.50671 5.2356
240 3OA2 NAD 0.003455 0.41404 5.34591
241 4D7E FAD 0.000006416 0.47003 5.36131
242 1Z82 NDP 0.002171 0.42482 5.37313
243 2VYN NAD 0.00009487 0.41134 5.43807
244 3EGV SAH 0.006802 0.43102 5.44218
245 1E6E FAD 0.0000002818 0.51463 5.46875
246 3WGT QSC 0.000001457 0.51521 5.4755
247 3WGT FAD 0.000001593 0.51261 5.4755
248 3ZNN 4WL 0.000003868 0.5083 5.4755
249 3ZNN FAD 0.000003868 0.5083 5.4755
250 4USR FAD 0.00000004774 0.52458 5.54017
251 1RSG FAD 0.0000002992 0.53066 5.54723
252 1BZL FAD 0.00001249 0.51545 5.55556
253 3JQG NAP 0.003029 0.41895 5.55556
254 4CMI NAP 0.002853 0.41736 5.55556
255 5JCJ NAP 0.003243 0.41513 5.55556
256 4CM4 NAP 0.003395 0.41434 5.55556
257 2GV8 FAD 0.0000003045 0.50279 5.59284
258 2GVC FAD 0.0000002262 0.50244 5.59284
259 5TUF FAD 0.00000005329 0.58972 5.62347
260 5TUF TDC 0.000000966 0.44334 5.62347
261 4NTC FAD 0.000000264 0.53096 5.67164
262 2RGJ FAD 0.00000004607 0.52628 5.72139
263 4P6G 2FZ 0.03183 0.41169 5.75221
264 4EIP K2C 0.00000001567 0.58079 5.82878
265 4EIP FAD 0.00000001567 0.58079 5.82878
266 3CGD COA 0.000002403 0.5324 5.83333
267 3CGD FAD 0.000002403 0.5324 5.83333
268 3CGD NAD 0.000002403 0.5324 5.83333
269 1YKJ FAD 0.00000002899 0.59008 5.83756
270 1YKJ PHB 0.00000002899 0.59008 5.83756
271 3CIF NAD 0.0001401 0.40718 5.84958
272 4EMI NAD 0.0000005862 0.54081 5.85366
273 4EMI FAD 0.0000001678 0.52892 5.85366
274 4EMJ FAD 0.0000002524 0.52658 5.85366
275 3G5S FAD 0.0000002227 0.52082 5.86907
276 1LVL FAD 0.0002167 0.46808 5.8952
277 4YNU FAD 0.000005133 0.49121 5.95447
278 4YNU LGC 0.000007525 0.49037 5.95447
279 1XHC FAD 0.00000006138 0.53543 5.99455
280 3NYC IAR 0.0000003113 0.54119 6.03675
281 3NYC FAD 0.0000003113 0.54119 6.03675
282 2X3N FAD 0.00000004736 0.54287 6.14693
283 3OZ2 FAD 0.000000003557 0.59266 6.29723
284 1OC2 TDX 0.001476 0.41554 6.32184
285 1OC2 NAD 0.001476 0.41554 6.32184
286 1TDF NAP 0.03087 0.40133 6.32911
287 1TDF FAD 0.01416 0.4011 6.32911
288 1E3I CXF 0.0003694 0.43277 6.38298
289 3AB1 FAD 0.0000001381 0.5389 6.38889
290 5MQ6 NDP 0.00004475 0.50994 6.41221
291 4YCA NDP 0.0004123 0.45739 6.46258
292 5JCA NDP 0.000001674 0.52546 6.54008
293 5JCA FAD 0.0000006258 0.51973 6.54008
294 5J60 FAD 0.000000247 0.53036 6.5625
295 5N53 8NB 0.02984 0.42341 6.66667
296 4K28 NAD 0.0004524 0.45913 6.69145
297 5MZI FAD 0.000000008676 0.60526 6.72451
298 5MZI FYK 0.00000000941 0.60526 6.72451
299 3LXD FAD 0.00000008621 0.52617 6.74699
300 5BR7 FAD 0.00002551 0.48285 6.87023
301 5BR7 FLC 0.00002724 0.48183 6.87023
302 5JCM ISD 0.0000007886 0.5403 7.09534
303 5JCM NAD 0.0000007886 0.5403 7.09534
304 5JCM FAD 0.0000007398 0.5403 7.09534
305 1FL2 FAD 0.000003533 0.48831 7.09677
306 3IHG FAD 0.000000006603 0.53373 7.1028
307 3NJ4 AFX 0.01072 0.40974 7.12644
308 3NJ4 NAD 0.01097 0.40936 7.12644
309 3FG2 FAD 0.00000003082 0.52966 7.17822
310 1YY5 FAD 0.0000004617 0.52715 7.21248
311 2CUL FAD 0.0000004939 0.50242 7.32759
312 4XUC SAM 0.0004127 0.40653 7.33945
313 4XUC 43G 0.0004127 0.40653 7.33945
314 2WET FAD 0.0000000001602 0.64022 7.4364
315 4TM3 FAD 0.000002631 0.52409 7.44921
316 3VYW SAM 0.001156 0.45581 7.46753
317 3FPZ AHZ 0.001835 0.45519 7.66871
318 3Q9T FAY 0.00006419 0.44041 7.79896
319 4J56 FAD 0.000000145 0.54444 7.89474
320 3KLJ FAD 0.00000002189 0.53715 8.31169
321 4YRY NAD 0.000001892 0.51602 8.33333
322 4YRY FAD 0.000001543 0.50636 8.33333
323 2GAG NAD 0.0000000407 0.54437 8.39506
324 2GAG FAD 0.00000102 0.51669 8.39506
325 2GAG FOA 0.00000102 0.51669 8.39506
326 3C6K MTA 0.0004739 0.40952 8.39895
327 3C6K SPD 0.0004739 0.40952 8.39895
328 3T31 FAD 0.001531 0.4446 8.46682
329 3T31 DCQ 0.00168 0.4446 8.46682
330 1LSS NAD 0.0000008544 0.43914 8.57143
331 3QV1 NAD 0.0001098 0.40131 8.60534
332 3GDH SAH 0.00236 0.43206 9.12863
333 1RP0 AHZ 0.005099 0.43219 9.15493
334 2BKX F6R 0.0309 0.40553 9.50413
335 2YG3 FAD 0.0000001828 0.53479 9.71302
336 2YVJ FAD 0.00000006363 0.53831 9.80392
337 2YVF FAD 0.005144 0.42745 9.80392
338 2YVF NAD 0.005351 0.42745 9.80392
339 2YVJ NAI 0.000001338 0.41904 9.80392
340 5EVY FAD 0.00000008947 0.62707 10.0457
341 4USQ FAD 0.0007558 0.43688 10.8033
342 3AD8 NAD 0.00000005702 0.52553 11.1111
343 3AD8 PYC 0.000002872 0.52086 11.1111
344 3AD8 FAD 0.000002872 0.52086 11.1111
345 3F8D FAD 0.00002041 0.49319 11.1455
346 5VN0 FAD 0.0000001732 0.54357 11.1969
347 5VN0 NAI 0.000001379 0.43937 11.1969
348 4OBW SAM 0.004045 0.43815 11.284
349 3CTY FAD 0.00000006895 0.55552 11.5987
350 1CER NAD 0.0001531 0.47512 12.0846
351 2Q0L FAD 0.0000003936 0.51809 12.2186
352 2Q0L NAP 0.0004049 0.4944 12.2186
353 2GUC MAN 0.02 0.44995 12.2951
354 2NU5 NAG 0.02276 0.44707 12.2951
355 4X9M FAD 0.00000005158 0.55337 12.4402
356 1NPD NAD 0.00377 0.42338 12.8472
357 5ODQ FAD 0.0000001632 0.53963 12.8571
358 2Q7V FAD 0.00000004447 0.55724 13.2308
359 1LOB MMA 0.032 0.42115 13.4615
360 2DT5 NAD 0.0000758 0.48019 13.7441
361 4YSX FAD 0.00000008175 0.54661 14.3617
362 2V3B FAD 0.0000002364 0.52116 16.3636
363 3LAD FAD 0.0000002943 0.5309 16.5966
364 2F5Z FAD 0.0000001027 0.54805 17.1875
365 4K5S PM0 0.0001344 0.48139 20.1493
366 4K5S FAD 0.00004434 0.48081 20.1493
367 3RNM FAD 0.0000001041 0.54786 22.4138
368 4GUS FAD 0.0000009822 0.51588 26.6129
369 4GUT FAD 0.000001345 0.51387 26.6129
370 4HSU FAD 0.000001754 0.50723 26.6129
371 4YGM URA 0.01995 0.4136 26.9231
Pocket No.: 4; Query (leader) PDB : 5WGR; Ligand: PM7; 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: 5wgr.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5WGR; Ligand: PM7; 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: 5wgr.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5WGR; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5wgr.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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