Receptor
PDB id Resolution Class Description Source Keywords
2WET 2.4 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF TRYPTOPHAN 5-HALOGENASE (PYRH) COMPLEX WITH FAD (TRYPTOPHAN) STREPTOMYCES RUGOSPORUS REGIOSELECTIVITY TRYPTOPHAN 5-HALOGENASE ANTIFUNGAL PROTEI
Ref.: STRUCTURAL INSIGHTS IN THE REGIOSELECTIVITY IN THE ENZYMATIC CHLORINATION OF TRYPTOPHAN. J.MOL.BIOL. V. 391 74 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1514;
A:700;
B:1653;
B:700;
C:1515;
C:700;
D:1514;
D:700;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FAD A:1513;
B:1652;
C:1513;
D:1513;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
SO4 C:1514;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
TRP B:650;
Valid;
none;
submit data
204.225 C11 H12 N2 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WET 2.4 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF TRYPTOPHAN 5-HALOGENASE (PYRH) COMPLEX WITH FAD (TRYPTOPHAN) STREPTOMYCES RUGOSPORUS REGIOSELECTIVITY TRYPTOPHAN 5-HALOGENASE ANTIFUNGAL PROTEI
Ref.: STRUCTURAL INSIGHTS IN THE REGIOSELECTIVITY IN THE ENZYMATIC CHLORINATION OF TRYPTOPHAN. J.MOL.BIOL. V. 391 74 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2WEU - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2WET - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2WES - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2WEU - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2WET - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2WES - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 2WEU - TRP C11 H12 N2 O2 c1ccc2c(c1....
2 2WET - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 2WES - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 2E4G - TRP C11 H12 N2 O2 c1ccc2c(c1....
5 2OA1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 2OAL - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 2JKC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 2APG - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 2AQJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 2AR8 - CTE C11 H11 Cl N2 O2 c1cc2c(c[n....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: TRP; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP 1 1
2 DTR 1 1
3 LTN 0.765957 0.777778
4 3IL 0.666667 0.75
5 4Z9 0.666667 0.75
6 TR7 0.666667 0.833333
7 FT6 0.561404 0.888889
8 IAC 0.538462 0.787879
9 TSR 0.529412 0.722222
10 IOP 0.518519 0.764706
11 R59 0.515152 0.72093
12 R38 0.515152 0.72093
13 3IB 0.491228 0.742857
14 ITW 0.491228 0.694444
15 IAD 0.484375 0.738095
16 TRP GLY 0.484375 0.636364
17 TSS 0.471698 0.666667
18 CTE 0.467742 0.888889
19 DTE 0.467742 0.888889
20 IAV 0.461538 0.738095
21 IAG 0.459016 0.738095
22 LYS TRP 0.43662 0.644444
23 78U 0.42623 0.794118
24 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.424658 0.627907
25 0ZN 0.421687 0.673913
26 4OG 0.416667 0.8
27 ASP TRP ASN 0.415584 0.673913
28 GLU ASP ASN ASP TRP ASN 0.415584 0.673913
29 LSW 0.411765 0.680851
30 X95 0.411765 0.680851
31 LYS TRP LYS 0.402597 0.638298
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WET; Ligand: FAD; Similar sites found: 467
This union binding pocket(no: 1) in the query (biounit: 2wet.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KNR FAD 0.0000005387 0.51402 0.978474
2 1YBH P22 0.03701 0.40909 0.978474
3 2WPF FAD 0.000002048 0.54142 1.21212
4 2WPF WPF 0.000002714 0.53883 1.21212
5 2FR1 NDP 0.004033 0.40517 1.23457
6 2XVE FAD 0.000003797 0.50844 1.2931
7 2XVF FAD 0.0000004912 0.5038 1.2931
8 3HIY UTP 0.01283 0.42565 1.30208
9 4TXI FAD 0.0000001738 0.57181 1.36986
10 2DKH 3HB 0.0000004333 0.51397 1.36986
11 3UCL NAP 0.000006398 0.50686 1.36986
12 3UCL CYH 0.000005386 0.50686 1.36986
13 3UCL FAD 0.000005386 0.50686 1.36986
14 2DKH FAD 0.0000003079 0.49528 1.36986
15 5TE1 7A2 0.02267 0.42427 1.36986
16 2D24 XYS XYS 0.04565 0.40474 1.37615
17 5MBX FAD 0.00001908 0.4231 1.40845
18 5MBX SP5 0.00001908 0.4231 1.40845
19 1LSS NAD 0.00001656 0.40514 1.42857
20 1V8B NAD 0.0003916 0.40869 1.46138
21 1P31 EPU 0.005127 0.43431 1.47368
22 1P3D UMA 0.003312 0.42109 1.47368
23 1Z82 NDP 0.003292 0.4185 1.49254
24 1I0Z NAI 0.002031 0.42163 1.5015
25 9LDB NAD 0.000498 0.44273 1.50602
26 4AP3 NAP 0.000007388 0.49818 1.56556
27 4MIG G3F 0.000008154 0.48608 1.56556
28 4AP3 FAD 0.000007388 0.41901 1.56556
29 3A1I UNU 0.04622 0.40394 1.56556
30 5KJW 53C 0.03893 0.41536 1.63934
31 1W73 NAP 0.008652 0.40891 1.65563
32 4EUE NAI 0.0002778 0.40327 1.67464
33 4XQC 13D 0.0001121 0.42884 1.68421
34 4XQC NAD 0.0002367 0.42175 1.68421
35 4JJF FE9 0.0002975 0.46097 1.74419
36 4JJF N2I 0.000417 0.44871 1.74419
37 2ZXI FAD 0.0000007756 0.52625 1.76125
38 1LCF OXL 0.04006 0.41207 1.76125
39 1GTE FAD 0.00002023 0.40928 1.76125
40 4JNA FAD 0.00000006767 0.54123 1.76471
41 2YG3 FAD 0.000004559 0.48894 1.766
42 2CDU FAD 0.0000001739 0.51588 1.76991
43 2CDU ADP 0.00000005206 0.4324 1.76991
44 3GF4 FAD 0.000127 0.40233 1.79487
45 3CMC NAD 0.001115 0.42456 1.79641
46 3BAZ NAP 0.004251 0.41932 1.8018
47 1LDM NAD 0.002363 0.41904 1.82371
48 2BH9 NAP 0.02563 0.40729 1.84049
49 5M67 3D1 0.001275 0.41063 1.87891
50 5M67 NAD 0.001387 0.40937 1.87891
51 5M67 ADE 0.001507 0.40813 1.87891
52 3OA2 NAD 0.001585 0.4286 1.88679
53 5DN9 NAD 0.0006538 0.43265 1.92308
54 1GQ2 NAP 0.0001342 0.47151 1.95695
55 1DJN ADP 0.0000001085 0.46267 1.95695
56 1NAA 6FA 0.00001971 0.45646 1.95695
57 1NAA ABL 0.00002299 0.42411 1.95695
58 2B5W NAP 0.003408 0.4013 1.96078
59 5JE8 NAD 0.000463 0.45984 1.98676
60 2AL2 PEP 0.04694 0.40028 2.06422
61 5U8U FAD 0.0000003439 0.44266 2.079
62 3SQP FAD 0.000003069 0.56178 2.09205
63 4MDH NAD 0.007498 0.40392 2.09581
64 1V6A TRE 0.01539 0.43886 2.10843
65 4JDR FAD 0.00000007318 0.54587 2.1097
66 1CER NAD 0.00004619 0.49783 2.1148
67 5GZ6 NDP 0.0007279 0.46596 2.14724
68 5GZ6 7C3 0.001137 0.45004 2.14724
69 4EIP K2C 0.00000005382 0.55816 2.15264
70 4EIP FAD 0.00000005382 0.52374 2.15264
71 1PS9 FAD 0.0000008885 0.50955 2.15264
72 3S1S SAH 0.008626 0.41166 2.15264
73 5UAV TFB 0.0004213 0.40885 2.17391
74 5UAV NDP 0.0004213 0.40885 2.17391
75 5TUK FAD 0.0000006729 0.56854 2.20588
76 1GET NAP 0.0000005126 0.54643 2.22222
77 1GET FAD 0.0000004519 0.54643 2.22222
78 1HKU NAD 0.001114 0.42917 2.23464
79 2NVK FAD 0.0000001619 0.53432 2.2541
80 2I3G NAP 0.001622 0.42284 2.27273
81 4CNK FAD 0.00000001167 0.56011 2.30179
82 1RSG FAD 0.0000008986 0.51085 2.34834
83 3IHG FAD 0.00000005418 0.50176 2.34834
84 1YY5 FAD 0.000002201 0.50051 2.34834
85 4C3Y FAD 0.00000485 0.48485 2.34834
86 4C3Y ANB 0.00001205 0.47791 2.34834
87 4YCA NDP 0.0001186 0.48089 2.38095
88 3L4S 3PG 0.0001914 0.41123 2.38095
89 3L4S NAD 0.0001695 0.41002 2.38095
90 4RDH AMP 0.0000474 0.54104 2.43056
91 1ZQ9 SAM 0.0007347 0.47393 2.45614
92 2NPX FAD 0.000001762 0.51362 2.46085
93 2NPX NAD 0.000004163 0.43351 2.46085
94 3LTW HLZ 0.02004 0.43103 2.5
95 4RPL FAD 0.0001355 0.45587 2.50627
96 4RPL 3UC 0.0001597 0.45566 2.50627
97 1MO9 FAD 0.000001298 0.53973 2.54403
98 1MO9 KPC 0.000001417 0.53914 2.54403
99 2RGO FAD 0.0000005981 0.5022 2.54403
100 4MOP 2H5 0.000005144 0.44656 2.54403
101 1ELI PYC 0.00002732 0.45186 2.57069
102 1NYT NAP 0.004565 0.41802 2.58303
103 1UXG NAD 0.0004083 0.41288 2.589
104 3WGT FAD 0.0000001762 0.54197 2.59366
105 3WGT QSC 0.0000003516 0.53303 2.59366
106 2R4J 13P 0.00000175 0.45977 2.59481
107 2R4J FAD 0.00000175 0.45977 2.59481
108 1E1M NAP 0.000003906 0.44509 2.6087
109 1E1M FAD 0.000003906 0.44509 2.6087
110 3JV7 NAD 0.0009566 0.43451 2.6087
111 5ULP KB1 0.01343 0.4007 2.61194
112 5DLY SAH 0.002367 0.40276 2.63158
113 1E5Q NDP 0.001364 0.43121 2.66667
114 4DSG UDP 0.00002832 0.4775 2.68595
115 4DSG FAD 0.00002832 0.4065 2.68595
116 4KOA NDP 0.003441 0.44618 2.7027
117 2IXB NAD 0.001047 0.43022 2.7027
118 2IXB A2G 0.002016 0.40313 2.7027
119 4TM3 FAD 0.00001687 0.49166 2.7088
120 1PN0 FAD 0.0000000548 0.52135 2.73973
121 1PN0 IPH 0.00000005959 0.51611 2.73973
122 1UWK NAD 0.0004602 0.4064 2.73973
123 1UWK URO 0.0004602 0.4064 2.73973
124 1J5P NAD 0.0005969 0.44867 2.7668
125 1KEW NAD 0.0006561 0.4224 2.77008
126 1KEW TYD 0.002532 0.40123 2.77008
127 1GY8 NAD 0.0001511 0.40765 2.77078
128 1N4W FAD 0.00002118 0.46595 2.77778
129 1A5Z NAD 0.00004113 0.51746 2.82132
130 2DW7 SRT 0.02117 0.42192 2.82776
131 1LVL NAD 0.000001581 0.58619 2.83843
132 1LVL FAD 0.0000006195 0.50466 2.83843
133 3GGO NAI 0.0007766 0.41208 2.86624
134 3GGO ENO 0.0007766 0.41208 2.86624
135 4D79 ATP 0.00005578 0.52645 2.89855
136 1OBB NAD 0.007395 0.41183 2.91667
137 2VHW NAI 0.0002776 0.41211 2.91777
138 5TUF FAD 0.0000002271 0.56737 2.93399
139 5TUF TDC 0.000004805 0.42807 2.93399
140 3G5S FAD 0.0000006299 0.52946 2.93454
141 5HSA FAS 0.00001193 0.47177 2.93542
142 1QMG APX 0.003218 0.43035 2.93542
143 1QMG DMV 0.03207 0.42054 2.93542
144 3WBF NAP 0.0006678 0.44362 2.95082
145 3WBF API 0.001037 0.42511 2.95082
146 1COY FAD 0.00002702 0.45987 2.95858
147 1COY AND 0.00004465 0.40964 2.95858
148 1I2B NAD 0.00126 0.41512 2.9703
149 1Q9I TEO 0.00000007042 0.48452 2.97723
150 1Q9I FAD 0.00000007042 0.48452 2.97723
151 1XCL SAH 0.00321 0.40896 2.97872
152 1MUU NAD 0.00007592 0.49286 2.98165
153 1I8T FAD 0.00003049 0.45313 2.99728
154 3TG5 SAH 0.03566 0.40017 3.00231
155 1C0I BE2 0.007241 0.40985 3.0303
156 1C0I FAD 0.007241 0.40985 3.0303
157 4NEC SAH 0.03438 0.40096 3.0303
158 2EV9 SKM 0.001267 0.42438 3.04183
159 1RYO OXL 0.02836 0.42365 3.0581
160 2CVQ NDP 0.003367 0.41549 3.0581
161 1E3W NAD 0.001784 0.42385 3.06513
162 2JB2 FAD 0.000008609 0.4827 3.06748
163 2JB2 PHE 0.00001062 0.47647 3.06748
164 1E6W NAD 0.005363 0.405 3.07692
165 1RKX NAD 0.00458 0.40535 3.08123
166 1BW9 NAD 0.0001481 0.4928 3.08989
167 1C1X NAD 0.0000693 0.49054 3.09859
168 1WP4 NDP 0.002144 0.42608 3.11419
169 1Z45 NAD 0.0003209 0.45319 3.13112
170 2V6O FAD 0.0000007495 0.4154 3.13112
171 4U8P FDA 0.000005286 0.40949 3.13112
172 4U8P UDP 0.0000063 0.4032 3.13112
173 3G6N MET ALA SER 0.03679 0.41678 3.14136
174 2CHT TSA 0.02804 0.42334 3.14961
175 2GN3 MAN 0.03862 0.41993 3.1746
176 2GN3 MMA 0.04502 0.4173 3.1746
177 2Q1S NAI 0.0002416 0.43025 3.18302
178 1HYH NAD 0.0002957 0.4515 3.23625
179 3ITJ FAD 0.0000001894 0.49911 3.25444
180 4MO2 FDA 0.00003283 0.46862 3.26087
181 4MO2 FAD 0.00003371 0.46521 3.26087
182 4XFR CIT 0.03192 0.42472 3.27869
183 3A4T SFG 0.003745 0.43058 3.28467
184 1KYQ NAD 0.000005248 0.40138 3.28467
185 3ABI NAD 0.0001336 0.46818 3.28767
186 3FUU ADN 0.0005567 0.4753 3.32103
187 4USQ FAD 0.0000004525 0.49391 3.3241
188 1VQW FAD 0.0000005141 0.54934 3.32681
189 3NTA FAD 0.000002002 0.50804 3.32681
190 3NT6 FAD 0.000001383 0.49384 3.32681
191 3NTD FAD 0.000001979 0.48891 3.32681
192 1GPE FAD 0.000008097 0.46083 3.32681
193 1V59 FAD 0.00000005779 0.55561 3.34728
194 1V59 NAD 0.0000001836 0.40597 3.34728
195 5LD5 NAD 0.0000613 0.50526 3.35196
196 4GLJ RHB 0.006014 0.4277 3.367
197 1JQ3 AAT 0.0005578 0.43525 3.37838
198 2Q7V FAD 0.00000002962 0.55902 3.38462
199 3LST SAH 0.01785 0.41844 3.44828
200 5E4R NAP 0.001147 0.43422 3.46939
201 1NVM NAD 0.0002476 0.45449 3.47826
202 1BZL FAD 0.000008586 0.51861 3.49794
203 4M38 SAH 0.01343 0.40869 3.49854
204 4UP3 FAD 0.00000005899 0.54545 3.50318
205 1T9D PYD 0.04183 0.40289 3.5225
206 1YQC GLV 0.006499 0.46204 3.52941
207 5K8P 6R8 0.04691 0.40711 3.52941
208 2NXE SAM 0.009311 0.42211 3.54331
209 5CAE COA 0.002391 0.43285 3.5443
210 2GV8 FAD 0.0000007049 0.5399 3.57942
211 2GV8 NDP 0.00004118 0.50832 3.57942
212 2GVC FAD 0.000000524 0.487 3.57942
213 2F1K NAP 0.00001521 0.51777 3.58423
214 1H82 GZZ 0.00001731 0.486 3.60169
215 1H82 FAD 0.00001264 0.4254 3.60169
216 1VDC FAD 0.000001365 0.51151 3.6036
217 3A27 SAM 0.007311 0.42706 3.67647
218 1NML CIT 0.02946 0.42215 3.68098
219 5MZI FAD 0.000001847 0.44384 3.68764
220 5MZI FYK 0.000001976 0.44033 3.68764
221 1IM8 SAI 0.008052 0.41876 3.68852
222 1YKF NAP 0.003388 0.41287 3.69318
223 2GMH FAD 0.000000166 0.53395 3.7182
224 4G74 FAD 0.000001627 0.51861 3.7182
225 5EB4 FAD 0.000003559 0.48632 3.7182
226 4G74 UQ5 0.000005921 0.458 3.7182
227 1E3I CXF 0.0005619 0.42736 3.7234
228 2OUA AES 0.04414 0.42579 3.7234
229 2JJQ SAH 0.02251 0.41336 3.76471
230 5JCM ISD 0.0000005501 0.54236 3.7694
231 5JCM NAD 0.0000005631 0.542 3.7694
232 5JCM FAD 0.0000005273 0.542 3.7694
233 5MGZ SAH 0.01568 0.40845 3.81356
234 2IID FAD 0.000007433 0.43419 3.81526
235 2IID PHE 0.000007433 0.43419 3.81526
236 1ZEM NAD 0.0002838 0.46523 3.81679
237 1NPD NAD 0.00243 0.43255 3.81944
238 2BRY FAD 0.00000007118 0.51521 3.82294
239 1D4D FAD 0.0000002037 0.53405 3.84615
240 1ZK7 FAD 0.0000004729 0.49973 3.85439
241 1CF2 NAP 0.00005257 0.41041 3.85757
242 4M52 FAD 0.0000001087 0.53466 3.86266
243 4USR FAD 0.0000005082 0.48815 3.87812
244 2A8X FAD 0.0000001132 0.5287 3.87931
245 1YQZ FAD 0.000007823 0.42284 3.88128
246 1F8G NAD 0.003721 0.43071 3.90625
247 1REO FAD 0.000001968 0.49211 3.90947
248 3GDN HBX 0.00001572 0.4785 3.91389
249 3GDN FAD 0.00001661 0.46825 3.91389
250 3WE0 FAD 0.00004258 0.44549 3.91389
251 5JJR SAH 0.007979 0.42527 3.91389
252 5TS5 FAD 0.000004141 0.48715 3.92562
253 2FJK 13P 0.04484 0.40465 3.93443
254 3NYC IAR 0.000002458 0.45835 3.93701
255 3NYC FAD 0.000002458 0.45835 3.93701
256 1KEV NDP 0.001956 0.41239 3.9886
257 3LAD FAD 0.0000002907 0.52734 3.9916
258 2E5V FAD 0.00000001753 0.57002 4.02542
259 3ZNN 4WL 0.0000007856 0.52941 4.03458
260 3ZNN FAD 0.0000007856 0.52941 4.03458
261 1M2W NAD 0.004103 0.42575 4.0568
262 4J36 1HR 0.00000006121 0.55168 4.09639
263 4J36 FAD 0.00000003343 0.52732 4.09639
264 4YNU FAD 0.000004076 0.49144 4.10959
265 4YNU LGC 0.000005974 0.49073 4.10959
266 3C6K MTA 0.0003695 0.40968 4.10959
267 3C6K SPD 0.0003695 0.40968 4.10959
268 4XDY NAI 0.0007747 0.4472 4.14201
269 1H5Q NAP 0.003733 0.41121 4.15094
270 1R6D NAD 0.0005781 0.42608 4.1543
271 1R6D DAU 0.0007733 0.42081 4.1543
272 5KKA 6V0 0.000802 0.43197 4.16667
273 2IVD FAD 0.0000007803 0.53008 4.1841
274 3LZW FAD 0.00000006691 0.5596 4.21687
275 3LZW NAP 0.0000007667 0.44854 4.21687
276 4R6W SAH 0.004113 0.40485 4.26357
277 4RSL FAD 0.00001078 0.48909 4.30528
278 4REP FAD 0.00001885 0.47098 4.30528
279 3S5W FAD 0.000004691 0.45351 4.30528
280 4HA6 FAD 0.000002759 0.48308 4.33071
281 1P77 ATR 0.0001656 0.5457 4.41176
282 5JWC FAD 0.0000006097 0.53802 4.41459
283 1RYI FAD 0.0000005236 0.51724 4.45026
284 1H2B NAJ 0.00121 0.42261 4.45682
285 3CIF NAD 0.00007783 0.41046 4.45682
286 5D4V SAH 0.001228 0.45207 4.47761
287 5EWK P34 0.04937 0.41075 4.5
288 1Y8Q ATP 0.00006747 0.49915 4.50098
289 4D3F NAP 0.000526 0.46839 4.51613
290 1D1T NAD 0.0009101 0.42987 4.55764
291 3TLJ SAH 0.01284 0.4041 4.55764
292 3GFB NAD 0.0007827 0.44388 4.57143
293 5FJN BE2 0.000002126 0.50235 4.60526
294 5FJN FAD 0.000001875 0.50011 4.60526
295 3NKS FAD 0.000003341 0.50378 4.61216
296 2XG5 EC5 0.03298 0.40661 4.62428
297 2XG5 EC2 0.03298 0.40661 4.62428
298 2AHR NAP 0.006349 0.4021 4.6332
299 2FKA BEF 0.009524 0.44785 4.65116
300 3HYW DCQ 0.02813 0.42452 4.65116
301 2YVF FAD 0.000006464 0.50024 4.65686
302 5I39 FAD 0.000003399 0.50001 4.65686
303 2YVF NAD 0.00000725 0.49944 4.65686
304 1E6E FAD 0.0000004592 0.50236 4.6875
305 1O0S NAI 0.0001488 0.48849 4.69667
306 2RGH FAD 0.000003185 0.48704 4.69667
307 3MB5 SAM 0.004195 0.42533 4.70588
308 1EZ4 NAD 0.0002553 0.46713 4.71698
309 3H8V ATP 0.000007847 0.40294 4.79452
310 2VVL FAD 0.000008083 0.47742 4.84848
311 2VVM FAD 0.000007958 0.47474 4.84848
312 3KLJ FAD 0.00000001996 0.5311 4.93506
313 5KMS FAD 0.0000006611 0.53267 4.93827
314 5KMS NAD 0.00001746 0.41492 4.93827
315 4XDZ NDP 0.0007577 0.45084 4.95627
316 2YY8 SAM 0.01434 0.41026 4.97512
317 2YY8 MTA 0.03379 0.40771 4.97512
318 3DMH SAM 0.01292 0.40945 4.98688
319 4CJX NAP 0.0003063 0.46738 5.01567
320 5L95 AMP 0.00001002 0.55557 5.01792
321 3NJ4 NAD 0.01219 0.40595 5.05747
322 1LLU NAD 0.001274 0.4193 5.26316
323 2Y6Q I7T 0.000000646 0.52131 5.27638
324 2Y6Q FAD 0.00000003938 0.5179 5.27638
325 5KOK SAH 0.008091 0.42175 5.28967
326 1C3V NDP 0.0005409 0.44134 5.30612
327 2PV7 NAD 0.0001034 0.47964 5.36913
328 4NTC FAD 0.00000007488 0.54553 5.37313
329 4BJZ P3A 0.0000002204 0.56164 5.42453
330 4OOE NDP 0.009083 0.40292 5.44554
331 4D04 NAP 0.000003684 0.51087 5.47945
332 4D04 FAD 0.000003684 0.42038 5.47945
333 1FL2 FAD 0.000000172 0.52651 5.48387
334 5AYV KPL 0.0003012 0.40953 5.50162
335 3VYW SAM 0.01005 0.41439 5.51948
336 5BUK FAD 0.0000000002347 0.63514 5.55556
337 3K7M FAD 0.000006682 0.43765 5.56845
338 1RM4 NDP 0.0001344 0.40107 5.63798
339 4BQS ADP 0.01999 0.43149 5.68182
340 4AT0 FAD 0.000003846 0.49609 5.68627
341 1TDF NAP 0.0000002385 0.56039 5.6962
342 1TDF FAD 0.00000004811 0.55982 5.6962
343 5OFW 9TW 0.01443 0.43942 5.8296
344 4EMI FAD 0.0000002265 0.5411 5.85366
345 4EMI NAD 0.0000009978 0.43944 5.85366
346 2P41 SAH 0.007329 0.42701 5.90164
347 5G3U FDA 0.00001756 0.4751 5.91017
348 5G3U ITW 0.00004782 0.44014 5.91017
349 5EVY FAD 0.0000003935 0.60071 5.93607
350 4OPC FDA 0.0000007546 0.55919 5.96026
351 4OPC PGT 0.000001005 0.55919 5.96026
352 1D4O NAP 0.0105 0.40032 5.97826
353 2Q1W NAD 0.0004601 0.44118 6.00601
354 1HDG NAD 0.00009638 0.4885 6.0241
355 1QO8 FAD 0.00000001072 0.57554 6.06654
356 1JNR FAD 0.000000448 0.55324 6.06654
357 1ZBQ NAD 0.003804 0.40615 6.06654
358 1SB8 UD2 0.001719 0.40875 6.25
359 1SB8 NAD 0.001695 0.40547 6.25
360 1J0X NAD 0.0003089 0.42665 6.3253
361 2QA1 FAD 0.00000001311 0.59885 6.4
362 2RGJ FAD 0.0000003078 0.49566 6.46766
363 1DSS NAD 0.0000192 0.41764 6.60661
364 5EZ7 FAD 0.0000004303 0.52752 6.63265
365 1VKO NAD 0.0009481 0.4292 6.65362
366 5EOW FAD 0.00000001737 0.59944 6.66667
367 5W0N 2KH 0.02448 0.40828 6.69975
368 3EGV SAH 0.01229 0.41963 6.80272
369 3PP0 03Q 0.01271 0.40697 6.80473
370 1JG3 ADN 0.005696 0.43216 6.80851
371 5E8J SAH 0.01633 0.42038 6.81818
372 5HJM MTA 0.01522 0.40906 6.81818
373 3V1Y NAD 0.00007526 0.48906 6.82493
374 3LU1 NAD 0.0009487 0.43465 6.86813
375 3QFA FAD 0.00000008208 0.53864 6.89655
376 3H9E NAD 0.0001463 0.47712 6.93642
377 4XZ3 COA 0.01111 0.40685 6.95652
378 5F6U 5VK 0.04174 0.40464 7.00637
379 3QJ4 FAD 0.00002087 0.47249 7.01754
380 3FPZ AHZ 0.0009905 0.46413 7.05521
381 4R5M NAP 0.007021 0.40269 7.18085
382 2VYN NAD 0.0000553 0.41439 7.18563
383 1LDN NAD 0.0001326 0.40758 7.27848
384 5JCA FAD 0.0000007008 0.50783 7.38397
385 5JCA NDP 0.000002004 0.43039 7.38397
386 1EQ2 NAP 0.005307 0.40757 7.41935
387 3F8D FAD 0.000001397 0.53255 7.43034
388 5WGR FAD 0.0000000001602 0.64022 7.4364
389 1O94 ADP 0.00000003962 0.63736 7.5
390 1PL6 572 0.0002455 0.4038 7.58427
391 1YKJ FAD 0.00000006076 0.57441 7.61421
392 1YKJ PHB 0.00000006076 0.47137 7.61421
393 2C7G FAD 0.000008501 0.49203 7.67544
394 2C7G ODP 0.00001167 0.48618 7.67544
395 5LOG SAH 0.01172 0.41431 7.72532
396 1RP0 AHZ 0.0000000831 0.50682 7.74648
397 1Q1R FAD 0.0000001807 0.54867 7.88863
398 2YOA SEP 0.009219 0.40123 7.89474
399 3AB1 FAD 0.0000001316 0.54123 8.05556
400 2I7C AAT 0.001728 0.41678 8.12721
401 2VDV SAM 0.00705 0.43868 8.13008
402 5FA5 MTA 0.005741 0.43923 8.21918
403 3DXY SAM 0.001242 0.48123 8.25688
404 2Q0L FAD 0.00000002298 0.56272 8.36013
405 2Q0L NAP 0.00008352 0.52902 8.36013
406 1FEC FAD 0.0000004286 0.52739 8.36735
407 5D1R 56S 0.03016 0.41027 8.3682
408 3VPH NAD 0.0002637 0.44748 8.3871
409 3VPH OXM 0.0004573 0.43314 8.3871
410 4XYB NDP 0.003357 0.4037 8.4399
411 4A6D SAM 0.01477 0.40966 8.49858
412 4YSX FAD 0.00000003726 0.55985 8.51064
413 2O07 SPD 0.000431 0.44815 8.55263
414 2O07 MTA 0.001137 0.43729 8.55263
415 2HQM FAD 0.0000001503 0.53697 8.5595
416 5ODQ FAD 0.00000008837 0.53745 8.61057
417 3QVP FAD 0.000006255 0.48384 8.61057
418 4JBI NDP 0.008507 0.40661 8.64865
419 3WV8 ATP 0.000006991 0.56277 8.7156
420 4J56 FAD 0.00000005736 0.5542 8.77193
421 3AYI FAD 0.00001639 0.43288 8.80626
422 3AYI HCI 0.00001707 0.42937 8.80626
423 3B1J NAD 0.0000606 0.4817 8.84956
424 3B20 NAD 0.00005484 0.40585 8.84956
425 3A25 SAM 0.004486 0.43703 9.63455
426 3FG2 FAD 0.00000008726 0.57829 9.65347
427 1UY4 XYP XYP XYP XYP 0.04985 0.40553 9.65517
428 5N53 8NB 0.01807 0.43546 9.74359
429 4ZCC FAD 0.00003416 0.42623 9.82143
430 4ZCC NAI 0.00003416 0.42623 9.82143
431 1ZMD NAI 0.000002589 0.55455 9.91561
432 2F5Z FAD 0.0000002064 0.53386 9.91561
433 1ZMD FAD 0.0000001489 0.52481 9.91561
434 3G89 SAM 0.001566 0.47133 10.0402
435 3B1F NAD 0.000216 0.48553 10.3448
436 3WLE NAD 0.000792 0.40017 10.5572
437 2B4R NAD 0.00009116 0.41661 10.7246
438 2B4R AES 0.0002161 0.40211 10.7246
439 4IV9 FAD 0.00001355 0.47288 10.7632
440 1V9A SAH 0.02027 0.41232 10.8787
441 3QV1 NAD 0.00002077 0.51653 10.9756
442 4QTU SAM 0.00205 0.44925 11.0577
443 3EGI ADP 0.00438 0.46777 11.165
444 3AD8 NAD 0.00000007379 0.51705 11.33
445 3AD8 FAD 0.000003043 0.51668 11.33
446 3AD8 PYC 0.000003043 0.4168 11.33
447 3OFK SAH 0.003334 0.43282 11.5741
448 5H81 NAP 0.0009754 0.4565 11.8252
449 1KPG SAH 0.01092 0.40992 11.8467
450 2YVJ NAI 0.0000007865 0.61326 11.9266
451 2YVJ FAD 0.0000007273 0.52724 11.9266
452 4ZRN NAD 0.0004211 0.4371 12.5
453 3OZ2 FAD 0.00000007286 0.54995 12.8463
454 2DT5 NAD 0.0001488 0.46971 13.2701
455 4YMH SAH 0.01569 0.4056 13.3333
456 4J4H NAI 0.001095 0.41104 13.5135
457 4J4H 1J1 0.001095 0.41104 13.5135
458 1HDO NAP 0.003974 0.40098 13.5922
459 4OXX FMN 0.02084 0.40558 14.8148
460 4EMJ FAD 0.0000003105 0.51788 14.9533
461 1SW0 PGA 0.01303 0.42905 15.3226
462 5F8F SFG 0.0146 0.41934 15.9151
463 3G2O SAM 0.01327 0.41485 17.0569
464 3E1T FAD 0.00000000003625 0.64223 18.7867
465 5BVA FAD 0.0000000004314 0.60199 22.0049
466 3RNM FAD 0.0000002304 0.53225 22.4138
467 5UAO FAD 3.608e-18 0.86778 43.2485
Pocket No.: 2; Query (leader) PDB : 2WET; Ligand: FAD; 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: 2wet.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2WET; Ligand: TRP; Similar sites found: 17
This union binding pocket(no: 3) in the query (biounit: 2wet.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CDH TLA 0.01915 0.40251 2.97619
2 3L9R L9R 0.03767 0.40413 3.06122
3 2Y88 2ER 0.02684 0.41082 3.27869
4 3KJS DQ1 0.04093 0.4059 3.32681
5 3RIY NAD 0.02095 0.41083 3.663
6 5BU2 AMP 0.008028 0.41257 3.74449
7 2IMP NAI 0.03217 0.40772 3.9666
8 1JBW ACQ 0.02531 0.4078 3.97196
9 5O4J SAH 0.03501 0.4038 4.37956
10 5O4J 9KH 0.03501 0.4038 4.37956
11 1RYD GLC 0.004916 0.42776 4.39277
12 4NTC FAD 0.04094 0.40675 5.37313
13 5AYV KPL 0.03972 0.40194 5.50162
14 4OPC FDA 0.03895 0.43476 5.96026
15 4OPC PGT 0.04336 0.43476 5.96026
16 4AF0 IMP 0.01677 0.40605 6.45793
17 3O9L LPN 0.02385 0.41739 9.03614
Pocket No.: 4; Query (leader) PDB : 2WET; Ligand: FAD; Similar sites found: 33
This union binding pocket(no: 4) in the query (biounit: 2wet.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2EG5 SAH 0.033 0.40581 1.6129
2 4AMV F6R 0.03734 0.40002 1.76125
3 1US5 GLU 0.03443 0.40813 1.91083
4 3CV2 OXL 0.04174 0.4016 1.95695
5 3R5T VBN 0.02454 0.40308 2.62295
6 3ZJX BOG 0.047 0.41269 2.76817
7 2V73 SIA 0.03595 0.40891 3.14136
8 2GMM MAN MAN 0.0495 0.40807 3.1746
9 3IT7 TLA 0.02851 0.42276 3.2967
10 1LTH NAD 0.00006286 0.40304 3.44828
11 1T9D P22 0.02331 0.42866 3.5225
12 5CAE SIN 0.004929 0.40061 3.5443
13 4DPL NAP 0.004987 0.40721 3.89972
14 2BTM PGA 0.02573 0.42216 3.96825
15 1O8B ABF 0.03878 0.41247 4.56621
16 5IN3 G1P 0.02478 0.42724 4.98753
17 4JBL MET 0.03514 0.41874 5.01475
18 1PZG A3D 0.002426 0.40339 5.74018
19 3TWO NDP 0.003663 0.40113 5.74713
20 3CV3 UDP 0.0176 0.41301 5.91133
21 1RM0 NAI 0.0007207 0.40227 6.06654
22 2P8O BVA 0.03168 0.40061 6.10687
23 3O8M GLC 0.03379 0.41204 6.39175
24 3O8M BGC 0.03379 0.41204 6.39175
25 2GCG NDP 0.007867 0.40165 6.66667
26 2JAJ D20 0.02281 0.40755 6.92042
27 1QO0 BMD 0.0476 0.41329 7.14286
28 4R5M 4NO 0.004347 0.4072 7.18085
29 2YPI PGA 0.03637 0.41033 7.28745
30 3GDH SAH 0.01514 0.40187 9.54357
31 3N8K D1X 0.01093 0.43793 13.3721
32 1UYY BGC BGC 0.04709 0.41161 13.7405
33 5EYW PGA 0.02702 0.42101 16.8675
Pocket No.: 5; Query (leader) PDB : 2WET; Ligand: FAD; 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: 2wet.bio2) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback