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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 318 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 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....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 204 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: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Ligand no: 2; Ligand: TRP; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 DTR 1 1
2 TRP 1 1
3 LTN 0.765957 0.777778
4 TR7 0.666667 0.833333
5 3IL 0.666667 0.75
6 4Z9 0.666667 0.75
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 0.476923 0.704545
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 0.432432 0.673913
23 78U 0.42623 0.794118
24 0ZN 0.421687 0.673913
25 4OG 0.416667 0.8
26 X95 0.411765 0.680851
27 LSW 0.411765 0.680851
28 ASP TRP ASN 0.405063 0.673913
29 GLU ASP ASN ASP TRP ASN 0.405063 0.673913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WET; Ligand: FAD; Similar sites found with APoc: 873
This union binding pocket(no: 1) in the query (biounit: 2wet.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1LNX URI None
2 1KNR FAD 0.978474
3 1YBH P22 0.978474
4 2WPF FAD 1.21212
5 2WPF WPF 1.21212
6 2FR1 NDP 1.23457
7 1KOL NAD 1.25628
8 3HJ1 UTP 1.29199
9 2XVF FAD 1.2931
10 2XVE FAD 1.2931
11 3HIY UTP 1.30208
12 4TXI FAD 1.36986
13 2DKH 3HB 1.36986
14 3UCL CYH 1.36986
15 3UCL NAP 1.36986
16 3UCL FAD 1.36986
17 2DKH FAD 1.36986
18 5TE1 7A2 1.36986
19 3SUC ATP 1.36986
20 2D24 XYS XYS 1.37615
21 5MBX FAD 1.40845
22 5MBX SP5 1.40845
23 1BXK NAD 1.40845
24 1LSS NAD 1.42857
25 1V8B NAD 1.46138
26 1P31 EPU 1.47368
27 1P3D UMA 1.47368
28 4MP8 NAD 1.47493
29 4MP8 MLI 1.47493
30 1Z82 NDP 1.49254
31 6CEP NAD 1.49701
32 6CEP OXM 1.49701
33 9LDT NAD 1.50602
34 9LDB NAD 1.50602
35 6BWL NAD 1.52439
36 4TQG NDP 1.54799
37 2QK4 ATP 1.54867
38 4AP3 NAP 1.56556
39 4AP3 FAD 1.56556
40 4MIG G3F 1.56556
41 3X0D SAH 1.56556
42 2Q28 ADP 1.56556
43 3A1I UNU 1.56556
44 1GZ6 NAI 1.5674
45 4HXY NDP 1.59817
46 1GV0 NAD 1.6129
47 2EG5 SAH 1.6129
48 5KJW 53C 1.63934
49 1W8D NAP 1.65563
50 1W73 NAP 1.65563
51 4EUE NAI 1.67464
52 4XQC NAD 1.68421
53 4XQC 13D 1.68421
54 4JJF FE9 1.74419
55 4JJF N2I 1.74419
56 2ZXI FAD 1.76125
57 1GTE FAD 1.76125
58 4M00 SUC 1.76125
59 4C4A SAH 1.76125
60 1LCF OXL 1.76125
61 4JNA FAD 1.76471
62 5W3K 9TY 1.76471
63 5W3K NDP 1.76471
64 2YG3 FAD 1.766
65 2CDU FAD 1.76991
66 2CDU ADP 1.76991
67 3GF4 UPG 1.79487
68 3GF4 FAD 1.79487
69 3CMC NAD 1.79641
70 3BAZ NAP 1.8018
71 1LDM NAD 1.82371
72 3RFV NAI 1.87266
73 3RFV 15L 1.87266
74 5M67 3D1 1.87891
75 5M67 NAD 1.87891
76 5M67 ADE 1.87891
77 3OA2 NAD 1.88679
78 5DN9 NAD 1.92308
79 5EJ2 NAD 1.94805
80 1DJN ADP 1.95695
81 1NAA 6FA 1.95695
82 1NAA ABL 1.95695
83 1GQ2 NAP 1.95695
84 2B5W NAP 1.96078
85 5JE8 NAD 1.98676
86 5ZBC FAD 1.99557
87 3Q3C NAD 2.00669
88 3VSE SAH 2.01005
89 3GRU AMP 2.0339
90 1KJ8 GAR 2.04604
91 2AL2 PEP 2.06422
92 2AL2 2PG 2.06422
93 5U8U FAD 2.079
94 1TD2 PXL 2.09059
95 3SQP FAD 2.09205
96 4MDH NAD 2.09581
97 5MDH NAD 2.1021
98 1V6A TRE 2.10843
99 4JDR FAD 2.1097
100 1CER NAD 2.1148
101 3A06 NDP 2.12766
102 5GZ6 NDP 2.14724
103 5GZ6 7C3 2.14724
104 4EIP FAD 2.15264
105 4EIP K2C 2.15264
106 1PS9 FAD 2.15264
107 3X0V FAD 2.15264
108 1PS9 NAP 2.15264
109 3S1S SAH 2.15264
110 1F8F NAD 2.15633
111 5UAV TFB 2.17391
112 5UAV NDP 2.17391
113 3C1O NAP 2.18069
114 1Q19 SSC 2.18688
115 1PJS NAD 2.18818
116 3HQP FDP 2.20441
117 5TUK FAD 2.20588
118 5TC4 NAD 2.21519
119 1GET FAD 2.22222
120 1GET NAP 2.22222
121 3K5I AIR 2.23325
122 1HKU NAD 2.23464
123 1FWV SGA MAG FUC 2.23881
124 2NVK NAP 2.2541
125 2NVK FAD 2.2541
126 1YS4 NAP 2.25989
127 2I3G NAP 2.27273
128 1VJT NAD 2.27743
129 4CNK FAD 2.30179
130 4W6Z 8ID 2.30548
131 3BGD SAH 2.30769
132 3BGD PM6 2.30769
133 5KOX FAD 2.31092
134 5KOX RFP 2.31092
135 3OJO NAD 2.32019
136 2YYY NAP 2.33236
137 1FK8 NAD 2.33463
138 1L7E NAI 2.34375
139 3IHG FAD 2.34834
140 1RSG FAD 2.34834
141 4C3Y FAD 2.34834
142 1YY5 FAD 2.34834
143 4C3Y ANB 2.34834
144 5DNK SAH 2.34834
145 2AWN ADP 2.3622
146 4YCA NDP 2.38095
147 3L4S NAD 2.38095
148 3L4S 3PG 2.38095
149 1J49 NAD 2.4024
150 6A0S HSE 2.40964
151 6A0S NDP 2.40964
152 2OEM 1AE 2.42131
153 4RDH AMP 2.43056
154 4RDI ATP 2.43056
155 1ZQ9 SAM 2.45614
156 1HDR NAD 2.45902
157 2NPX FAD 2.46085
158 2NPX NAD 2.46085
159 3LTW HLZ 2.5
160 4RPL 3UC 2.50627
161 4RPL FAD 2.50627
162 1NW5 SAM 2.50784
163 1P1C SAH 2.51256
164 2WA2 SAM 2.53623
165 1MO9 FAD 2.54403
166 1MO9 KPC 2.54403
167 2RGO FAD 2.54403
168 4MOP 2H5 2.54403
169 5BJX NAD 2.54403
170 5BJX UDP 2.54403
171 4IHQ ADP 2.54403
172 5X20 NAD 2.5641
173 1ELI PYC 2.57069
174 1NYT NAP 2.58303
175 1UXG NAD 2.589
176 1UXG FUM 2.589
177 3WGT FAD 2.59366
178 3WGT QSC 2.59366
179 2R4J 13P 2.59481
180 2R4J FAD 2.59481
181 3ETG GLU 2.59481
182 3ETG NDP 2.59481
183 1E1M NAP 2.6087
184 1E1M FAD 2.6087
185 5ULP KB1 2.61194
186 3SSO SAH 2.6253
187 3UBM COA 2.63158
188 5DLY SAH 2.63158
189 1YJQ NAP 2.64026
190 2FB3 MET 2.64706
191 1RJW ETF 2.65487
192 1E5Q NDP 2.66667
193 4DSG FAD 2.68595
194 4DSG UDP 2.68595
195 4KOA NDP 2.7027
196 2IXB NAD 2.7027
197 2IXB A2G 2.7027
198 4TM3 FAD 2.7088
199 5Y8L NAD 2.71186
200 5Y8L HUI 2.71186
201 4OBW SAM 2.72374
202 1PN0 IPH 2.73973
203 1PN0 FAD 2.73973
204 1UWK NAD 2.73973
205 1UWK URO 2.73973
206 3JWH SAH 2.76498
207 1J5P NAD 2.7668
208 1KEW NAD 2.77008
209 1KEW TYD 2.77008
210 1GY8 NAD 2.77078
211 3HDY FAD 2.77078
212 3HDY FDA 2.77078
213 3HDY GDU 2.77078
214 1K3T BRZ 2.78552
215 1LUA NAP 2.78746
216 3DAG FEG 2.7933
217 3V1U NAD 2.81385
218 1WDK NAD 2.82051
219 1A5Z NAD 2.82132
220 2DW7 SRT 2.82776
221 1LVL FAD 2.83843
222 1LVL NAD 2.83843
223 5CK5 GDP 2.8481
224 4CIB 7UZ 2.85714
225 3GGO NAI 2.86624
226 3GGO ENO 2.86624
227 5KVA SAM 2.8777
228 4D79 ATP 2.89855
229 5Z20 NAI 2.89855
230 4C5N ACP 2.89855
231 1OBB NAD 2.91667
232 2VHW NAI 2.91777
233 5TUF TDC 2.93399
234 5TUF FAD 2.93399
235 3G5S FAD 2.93454
236 2HK9 ATR 2.93542
237 5HSA FAS 2.93542
238 2HK9 NAP 2.93542
239 1QMG APX 2.93542
240 1QMG DMV 2.93542
241 1CDO NAD 2.94118
242 1ZH8 NAP 2.94118
243 3WBF NAP 2.95082
244 3WBF API 2.95082
245 1COY AND 2.95858
246 1COY FAD 2.95858
247 1UDB UFG 2.95858
248 1UDB NAD 2.95858
249 4YUW S4M 2.96053
250 4YUW 4JU 2.96053
251 6F3N ADN 2.9661
252 6F3N NAD 2.9661
253 1SC6 NAD 2.9703
254 1I2B USQ 2.9703
255 1I2B NAD 2.9703
256 1I2B UPG 2.9703
257 2YX1 SFG 2.97619
258 1Q9I FAD 2.97723
259 1Q9I TEO 2.97723
260 1XCL SAH 2.97872
261 1MUU NAD 2.98165
262 1MV8 NAD 2.98165
263 4BVA NDP 2.98507
264 1I8T FAD 2.99728
265 3TG5 SAH 3.00231
266 3CBG SAH 3.01724
267 1C0I FAD 3.0303
268 1C0I BE2 3.0303
269 4FGC PQ0 3.0303
270 2EV9 SKM 3.04183
271 2EV9 NAP 3.04183
272 6F3M NAD 3.04348
273 5WP5 SAH 3.05499
274 5MIT NAP 3.0581
275 5MIT FAD 3.0581
276 1RYO OXL 3.0581
277 2CVQ NDP 3.0581
278 1E3W NAD 3.06513
279 2IYA UDP 3.06604
280 2JB2 PHE 3.06748
281 2JB2 FAD 3.06748
282 3OND ADN 3.07377
283 3OND NAD 3.07377
284 1E6W NAD 3.07692
285 1BW9 NAD 3.08989
286 1BXG NAD 3.08989
287 1C1X NAD 3.09859
288 1WP4 NDP 3.11419
289 2CVZ NDP 3.11419
290 1SWG BTN 3.125
291 6FP4 FAD 3.13112
292 4U8P FDA 3.13112
293 4U8P UDP 3.13112
294 2JHP SAH 3.13112
295 6FP4 E1T 3.13112
296 1Z45 NAD 3.13112
297 3G6N MET ALA SER 3.14136
298 2CHT TSA 3.14961
299 6GAR FAD 3.15186
300 1ORR NAD 3.17003
301 2GN3 MAN 3.1746
302 2GN3 MMA 3.1746
303 2Q1S NAI 3.18302
304 1SQK ADP 3.18302
305 2G5C NAD 3.20285
306 2YY7 NAD 3.20513
307 6C5B SAH 3.22581
308 1HYH NAD 3.23625
309 3HAD NAD 3.24675
310 3ITJ FAD 3.25444
311 3ITJ CIT 3.25444
312 2VT3 ATP 3.25581
313 3MAG SAH 3.25733
314 5WP4 SAH 3.25866
315 4MO2 FAD 3.26087
316 4MO2 FDA 3.26087
317 4GKV NAD 3.27381
318 2XYQ SAH 3.27869
319 4XFR CIT 3.27869
320 3A4T SFG 3.28467
321 1KYQ NAD 3.28467
322 3ABI NAD 3.28767
323 2GLX NDP 3.31325
324 3FUU ADN 3.32103
325 6GAS FAD 3.32326
326 4USQ FAD 3.3241
327 1VQW FAD 3.32681
328 4YKG NAD 3.32681
329 4YKG FAD 3.32681
330 3NT6 FAD 3.32681
331 3NTD FAD 3.32681
332 1GPE FAD 3.32681
333 1X87 NAD 3.32681
334 3NTA FAD 3.32681
335 3PT9 SAH 3.32681
336 1V59 NAD 3.34728
337 1V59 FAD 3.34728
338 5LD5 NAD 3.35196
339 3MCT SAH 3.367
340 4GLJ RHB 3.367
341 1JQ3 AAT 3.37838
342 5Y77 FAD 3.38266
343 5NM7 GLY 3.38346
344 2Q7V FAD 3.38462
345 3LCC SAH 3.40426
346 1OMO NAD 3.41615
347 2AOT SAH 3.42466
348 3LKZ SFG 3.42679
349 5K4W NAI 3.42679
350 5K4W THR 3.42679
351 1F06 NDP 3.4375
352 5UR0 NAD 3.4384
353 1LTH NAD 3.44828
354 3LST SAH 3.44828
355 2BZG SAH 3.44828
356 5E4R NAP 3.46939
357 2NU8 COA 3.47222
358 1NVM NAD 3.47826
359 2GSD NAD 3.48259
360 5TWB FAD 3.48837
361 1BZL FAD 3.49794
362 1BZL GCG 3.49794
363 4M38 SAH 3.49854
364 4M37 SAH 3.49854
365 4UP3 FAD 3.50318
366 4UP3 NDP 3.50318
367 1WG8 SAM 3.50877
368 2XVM SAH 3.51759
369 1T9D PYD 3.5225
370 1YQC GLV 3.52941
371 5K8P 6R8 3.52941
372 2NXE SAM 3.54331
373 5CAE COA 3.5443
374 2NAD NAD 3.56234
375 2GVC FAD 3.57942
376 2GV8 FAD 3.57942
377 2GV8 NDP 3.57942
378 2F1K NAP 3.58423
379 3ORF NAD 3.58566
380 3DUW SAH 3.58744
381 2VTD LKM 3.59551
382 1H82 FAD 3.60169
383 1H82 GZZ 3.60169
384 1VDC FAD 3.6036
385 6BQ6 TER 3.62538
386 6AA8 NAD 3.64238
387 1DRV A3D 3.663
388 3N71 SFG 3.67347
389 3A27 SAM 3.67647
390 1NML CIT 3.68098
391 5MZI FAD 3.68764
392 5MZI FYK 3.68764
393 1IM8 SAI 3.68852
394 1QAN SAH 3.68852
395 1YKF NAP 3.69318
396 2GMH FAD 3.7182
397 5EB4 FAD 3.7182
398 5OC1 FAD 3.7182
399 2ZFU SAH 3.72093
400 1E3I CXF 3.7234
401 2JJQ SAH 3.76471
402 5JCM FAD 3.7694
403 5JCM ISD 3.7694
404 5JCM NAD 3.7694
405 5XNC MTA 3.77358
406 5MGZ SAH 3.81356
407 2IID FAD 3.81526
408 2IID PHE 3.81526
409 1ZEM NAD 3.81679
410 1NPD NAD 3.81944
411 3BMN NAP 3.81944
412 2BRY FAD 3.82294
413 2RI1 GLP 3.82979
414 1UP7 NAD 3.83693
415 1D4D FAD 3.84615
416 1GVF PGH 3.84615
417 3KO8 NAD 3.84615
418 1ZK7 FAD 3.85439
419 1CF2 NAP 3.85757
420 4M52 FAD 3.86266
421 4M52 M52 3.86266
422 4USR FAD 3.87812
423 2A8X FAD 3.87931
424 1YQZ FAD 3.88128
425 4USI AKG 3.8961
426 4USI ATP 3.8961
427 1F8G NAD 3.90625
428 1REO FAD 3.90947
429 3GDN HBX 3.91389
430 3GDN FAD 3.91389
431 5JJR SAH 3.91389
432 5YB7 FAD 3.91389
433 5YB7 ORN 3.91389
434 4AVV CD 3.92157
435 4AVV GHE 3.92157
436 5TS5 FAD 3.92562
437 4KRI SAH 3.9261
438 2FJK 13P 3.93443
439 3NYC IAR 3.93701
440 3NYC FAD 3.93701
441 6EL3 NAP 3.93701
442 1VM6 NAD 3.94737
443 1SOW NAD 3.96341
444 1KEV NDP 3.9886
445 3LAD FAD 3.9916
446 4KQW NAP 4
447 2E5V FAD 4.02542
448 3ZNN FAD 4.03458
449 3ZNN 4WL 4.03458
450 5EES NAP 4.04858
451 1LJ8 NAD 4.0568
452 1M2W NAD 4.0568
453 3QWI NAP 4.07407
454 1LC3 NAD 4.08163
455 4J36 1HR 4.09639
456 4J36 FAD 4.09639
457 2CDC NAP 4.09836
458 2CDC XYS 4.09836
459 2CDC XYP 4.09836
460 4YNU FAD 4.10959
461 4YNU LGC 4.10959
462 3C6K SPD 4.10959
463 3C6K MTA 4.10959
464 1C3X 8IG 4.13534
465 4XDY NAI 4.14201
466 5YF1 SFG 4.14365
467 1H5Q NAP 4.15094
468 1R6D NAD 4.1543
469 1R6D DAU 4.1543
470 2HMT NAI 4.16667
471 5KKA 6V0 4.16667
472 1I36 NAP 4.16667
473 5AOV NAP 4.16667
474 2IVD FAD 4.1841
475 4N49 SAM 4.20561
476 3LZW FAD 4.21687
477 3LZW NAP 4.21687
478 5J5Z FAD 4.23387
479 3H5N ATP 4.24929
480 2PWY SAH 4.26357
481 4R6W SAH 4.26357
482 1I9G SAM 4.28571
483 1O6Z NAD 4.29043
484 1WPQ NAD 4.29799
485 3S5W NAP 4.30528
486 3S5W FAD 4.30528
487 4REP FAD 4.30528
488 4RSL FAD 4.30528
489 5N2I NAP 4.31034
490 4CP8 MLI 4.31212
491 1R37 NAD 4.32277
492 4HA6 FAD 4.33071
493 5N6C NAD 4.33333
494 1GR0 NAD 4.35967
495 2A92 NAI 4.36137
496 5O4J PJL 4.37956
497 5O4J 9KH 4.37956
498 5O4J SAH 4.37956
499 5A1T NAI 4.39883
500 5A1T OXM 4.39883
501 1P77 ATR 4.41176
502 5JWC FAD 4.41459
503 5T9E NAP 4.42804
504 5W6Y TRP 4.43038
505 3H2B SAH 4.4335
506 6GNO XDI 4.44444
507 1RYI FAD 4.45026
508 1RYI GOA 4.45026
509 5FUB SAH 4.45104
510 3CIF NAD 4.45682
511 1H2B NAJ 4.45682
512 3CIF G3H 4.45682
513 5D4V SAH 4.47761
514 5E9W SAH 4.48718
515 5BW4 SAM 4.49438
516 1Y8Q ATP 4.50098
517 4D3F NAP 4.51613
518 4ZVV GN0 4.51807
519 4ZVV NAD 4.51807
520 1M5W DXP 4.52675
521 1D1T NAD 4.55764
522 3TLJ SAH 4.55764
523 3GFB NAD 4.57143
524 5OD2 5ID 4.58515
525 5X68 FAD 4.60358
526 5FJN FAD 4.60526
527 5FJN BE2 4.60526
528 3NKS FAD 4.61216
529 2XG5 EC2 4.62428
530 2XG5 EC5 4.62428
531 2AHR NAP 4.6332
532 3TW1 AHN 4.64135
533 2FKA BEF 4.65116
534 3HYW DCQ 4.65116
535 4F2Q QUS 4.65116
536 2YVF FAD 4.65686
537 2YVF NAD 4.65686
538 5I39 FAD 4.65686
539 5ZYN FAD 4.67091
540 3ULK NDP 4.68432
541 1E6E FAD 4.6875
542 5OVK NDP 4.6875
543 1L3I SAH 4.6875
544 2RGH FAD 4.69667
545 1O0S NAI 4.69667
546 3MB5 SAM 4.70588
547 5F1V 3VN 4.7138
548 2J0V GDP 4.71698
549 1EZ4 NAD 4.71698
550 1KRH FAD 4.73373
551 2NV2 GLN 4.7619
552 6AIN FAD 4.78469
553 3H8V ATP 4.79452
554 4RQU NAD 4.8
555 5ZZ6 ADP 4.80769
556 5ZZ6 NAD 4.80769
557 1U1I NAD 4.84694
558 2VVL FAD 4.84848
559 2VVM FAD 4.84848
560 3GWZ SAH 4.87805
561 3TKY SAH 4.8913
562 3MX2 TTP 4.89237
563 2DFV NAD 4.89914
564 3KLJ FAD 4.93506
565 5KMS FAD 4.93827
566 5KMS NAD 4.93827
567 2EFJ SAH 4.94792
568 4XDZ NDP 4.95627
569 1W6U NAP 4.96689
570 2YY8 SAM 4.97512
571 2YY8 MTA 4.97512
572 1U7T NAD 4.98084
573 3DMH SAM 4.98688
574 4CJX NAP 5.01567
575 5L95 AMP 5.01792
576 2EJU SAH 5.02645
577 2QX0 PH2 5.03145
578 5JY6 NAD 5.05618
579 3NJ4 NAD 5.05747
580 3NJ4 AFX 5.05747
581 6EGU 43Y 5.08806
582 5NUF NAD 5.12048
583 5NUE NAD 5.12048
584 5ERG SAM 5.12295
585 1X7D NAD 5.14286
586 1GAD NAD 5.15152
587 4LWP SAH 5.16304
588 1OC2 TDX 5.17241
589 1OC2 NAD 5.17241
590 1NE7 AGP 5.19031
591 1DLJ NAI 5.22388
592 1DLJ UGA 5.22388
593 5CUQ NSC 5.24345
594 1LLU NAD 5.26316
595 4JLS 3ZE 5.26316
596 2Y6Q FAD 5.27638
597 2Y6Q I7T 5.27638
598 1SNN 5RP 5.28634
599 2OFW ADX 5.28846
600 5KOK SAH 5.28967
601 1C3V NDP 5.30612
602 5Z21 NAI 5.30726
603 1DJL NAP 5.31401
604 2X6T NAP 5.32213
605 6BSW UDP 5.32544
606 1Z3C SA8 5.36913
607 2PV7 NAD 5.36913
608 4NTC FAD 5.37313
609 1RJD SAM 5.38922
610 4BJZ FAD 5.42453
611 4BJZ P3A 5.42453
612 4IX4 ADP 5.42857
613 4OOE NDP 5.44554
614 4D04 FAD 5.47945
615 4D04 NAP 5.47945
616 1FL2 FAD 5.48387
617 5AYV NAP 5.50162
618 5AYV KPL 5.50162
619 3VYW SAM 5.51948
620 1SAY PYR 5.54017
621 5BUK FAD 5.55556
622 3K7M FAD 5.56845
623 1TPY SAH 5.57491
624 2PXX SAH 5.5814
625 5NA1 FAD 5.63725
626 1RM4 NDP 5.63798
627 1FP1 SAH 5.64516
628 1VI2 NAD 5.66667
629 4FK7 P34 5.67686
630 1LK7 DER 5.67686
631 4BQS ADP 5.68182
632 4AT0 FAD 5.68627
633 1TDF NAP 5.6962
634 1TDF FAD 5.6962
635 5N0J FAD 5.69801
636 1X14 NAD 5.73566
637 1PZG A3D 5.74018
638 3TWO NDP 5.74713
639 3NGL NAP 5.7971
640 1GUZ NAD 5.80645
641 5OFW 9TW 5.8296
642 4EMI FAD 5.85366
643 4EMI NAD 5.85366
644 3QOX SAH 5.86854
645 2P41 SAH 5.90164
646 5G3U FDA 5.91017
647 5G3U ITW 5.91017
648 2Q46 NAP 5.92885
649 5EVY FAD 5.93607
650 4OPC FDA 5.96026
651 4OPC PGT 5.96026
652 1D4O NAP 5.97826
653 4P9Z NMI PTR 02K ASN NH2 5.98291
654 2Q1W NAD 6.00601
655 6BII NAP 6.00601
656 1HDG NAD 6.0241
657 1KYZ SAH 6.0274
658 1QO8 FAD 6.06654
659 1JNR FAD 6.06654
660 5XLX SAH 6.06654
661 1ZBQ NAD 6.06654
662 1RM0 D6P 6.06654
663 1RM0 NAI 6.06654
664 6DNT NAD 6.10465
665 1DDG FAD 6.14973
666 4KIB SAH 6.16247
667 1P0F NAP 6.16622
668 5IKB KAI 6.22568
669 4J1Q NDP 6.25
670 1SB8 UD2 6.25
671 1SB8 NAD 6.25
672 5BRT FAD 6.26223
673 5BRT CH9 6.26223
674 3KB6 NAD 6.28743
675 2O4C NAD 6.31579
676 1J0X NAD 6.3253
677 2IZ1 ATR 6.32911
678 2EB5 OXL 6.36704
679 2QA1 FAD 6.4
680 2RGJ FAD 6.46766
681 5KVS NAP 6.49351
682 3L9W AMP 6.53753
683 3L9W GSH 6.53753
684 5ZI9 FLC 6.53846
685 3EVG SAH 6.54545
686 2DBZ NAP 6.58683
687 1DSS NAD 6.60661
688 5EZ7 FAD 6.63265
689 2BS3 CIT 6.64062
690 1VKO NAD 6.65362
691 5EOW FAD 6.66667
692 5ZW3 SAH 6.66667
693 5W0N 2KH 6.69975
694 1ZGA SAH 6.72269
695 3PP0 03Q 6.80473
696 1JG3 ADN 6.80851
697 5E8J SAH 6.81818
698 5HJM MTA 6.81818
699 3V1Y NAD 6.82493
700 6F97 FAD 6.84932
701 4TSK NDP 6.85714
702 3LU1 NAD 6.86813
703 4Z0H NAD 6.88623
704 3QFA FAD 6.89655
705 5X9D 80F 6.90789
706 4MCC 21X 6.91057
707 3H9E NAD 6.93642
708 5ZI2 NAD 6.95652
709 5ZI2 ADP 6.95652
710 4XZ3 COA 6.95652
711 1L1E SAH 6.96864
712 3W6X HZP 6.9869
713 5F6U 5VK 7.00637
714 3QJ4 FAD 7.01754
715 1RPN NDP 7.04501
716 3FPZ AHZ 7.05521
717 3T7S SAM 7.08955
718 2PT9 S4M 7.16511
719 2PT9 2MH 7.16511
720 4R5M NAP 7.18085
721 4R5M 4NO 7.18085
722 2VYN NAD 7.18563
723 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 7.18954
724 3RKR NAP 7.25191
725 1LDN NAD 7.27848
726 6F9Q NAD 7.35294
727 4U00 ADP 7.37705
728 5JCA FAD 7.38397
729 5JCA NDP 7.38397
730 1EQ2 NAP 7.41935
731 3F8D FAD 7.43034
732 5WGR FAD 7.4364
733 1O94 ADP 7.5
734 1DL5 SAH 7.57098
735 1PL6 NAD 7.58427
736 1PL6 572 7.58427
737 1YKJ FAD 7.61421
738 1YKJ PHB 7.61421
739 1NVT NAP 7.66551
740 1FP2 SAH 7.67045
741 2C7G FAD 7.67544
742 2C7G ODP 7.67544
743 1RP0 AHZ 7.74648
744 3GU3 SAH 7.74648
745 1Q1R FAD 7.88863
746 2D2I NAP 7.89474
747 2YOA SEP 7.89474
748 2DC1 NAD 8.05085
749 3AB1 FAD 8.05556
750 1WVG APR 8.07799
751 2J9L ATP 8.10811
752 2I7C AAT 8.12721
753 2VDV SAM 8.13008
754 3RGG AIR 8.1761
755 5FA5 MTA 8.21918
756 3DXY SAM 8.25688
757 5BSH PRO 8.30325
758 2Q0L FAD 8.36013
759 2Q0L NAP 8.36013
760 1FEC FAD 8.36735
761 5D1R 56S 8.3682
762 3VPH NAD 8.3871
763 3VPH OXM 8.3871
764 4XYB NDP 8.4399
765 4A6D SAM 8.49858
766 4YSX FAD 8.51064
767 2O07 MTA 8.55263
768 2O07 SPD 8.55263
769 2HQM FAD 8.5595
770 5ODQ FAD 8.61057
771 3QVP FAD 8.61057
772 5ODQ 9SB 8.61057
773 4JBI NDP 8.64865
774 3WV8 ATP 8.7156
775 1NXJ GLV 8.74317
776 4J56 FAD 8.77193
777 3AYI HCI 8.80626
778 3AYI FAD 8.80626
779 3B20 NAD 8.84956
780 3B1J NAD 8.84956
781 4JK3 NAD 8.88031
782 4B4U NAP 8.91089
783 4AF5 CIT 8.94737
784 4CQM NAP 9.01639
785 3EZ2 ADP 9.04523
786 6C8R SAH 9.23483
787 1SQL GUN 9.58904
788 1GZ4 ATP 9.58904
789 3A25 SAM 9.63455
790 4II2 ATP 9.63855
791 3FG2 FAD 9.65347
792 1UY4 XYP XYP XYP XYP 9.65517
793 5N53 8NB 9.74359
794 3GQK ATP 9.81595
795 4ZCC NAI 9.82143
796 4ZCC FAD 9.82143
797 2F5Z FAD 9.91561
798 2RIF AMP 9.92908
799 3SAO DBH 10
800 5A96 GTP 10.0402
801 3G89 SAM 10.0402
802 5OCG 9R5 10.0529
803 1LYX PGA 10.0806
804 3TAO PGH 10.1124
805 3MMH SME 10.1796
806 3B1F NAD 10.3448
807 5G6U TRP 10.3448
808 1O5I NAD 10.4418
809 1M0S CIT 10.5023
810 3WLE NAD 10.5572
811 2B4R AES 10.7246
812 2B4R NAD 10.7246
813 4IV9 FAD 10.7632
814 1V9A SAH 10.8787
815 1EBF NAD 10.8939
816 3QV1 NAD 10.9756
817 4QTU SAM 11.0577
818 5EIN NAP 11.1111
819 3I53 SAH 11.1446
820 3EGI ADP 11.165
821 2PEZ DAT 11.1732
822 3AD8 NAD 11.33
823 3AD8 PYC 11.33
824 3AD8 FAD 11.33
825 4L8V NAP 11.5727
826 3OFK SAH 11.5741
827 5LWY OLB 11.7647
828 5H81 NAP 11.8252
829 1KPG SAH 11.8467
830 1KPH SAH 11.8467
831 2YVJ FAD 11.9266
832 2YVJ NAI 11.9266
833 5G48 1FL 12.0321
834 1NM5 NAD 12.3153
835 4ZRN UPG 12.5
836 4ZRN NAD 12.5
837 1R18 SAH 12.7753
838 3OZ2 FAD 12.8463
839 2UYQ SAM 13.2258
840 2DT5 NAD 13.2701
841 4YMH SAH 13.3333
842 3N8K D1X 13.3721
843 5YEC ATP 13.4454
844 3GCZ SAM 13.4752
845 4J4H 1J1 13.5135
846 4J4H NAI 13.5135
847 4GLL NAD 14.2433
848 3S0E EOL 14.2857
849 2OOR NAD 14.3678
850 6F5Z SAH 14.7541
851 4OXX FMN 14.8148
852 4EMJ FAD 14.9533
853 1SW0 PGA 15.3226
854 5VM6 9EG 15.3285
855 5A04 NDP 15.6342
856 5A04 BGC 15.6342
857 5F8F SFG 15.9151
858 4RJD TFP 16.6667
859 3G2O SAM 17.0569
860 3R51 MMA 17.5
861 1EJ0 SAM 17.7778
862 6FDF SAH 17.9641
863 3E1T FAD 18.7867
864 3CF6 SP1 19.1617
865 2GUC MAN 19.6721
866 2GUD MAN 19.6721
867 5N5D SAM 21.2389
868 5BVA FAD 22.0049
869 3RNM FAD 22.4138
870 1DIG NAP 22.549
871 5ZCO CHD 26.5306
872 6FA4 D1W 35.2601
873 5UAO FAD 43.2485
Pocket No.: 2; Query (leader) PDB : 2WET; Ligand: FAD; Similar sites found with APoc: 37
This union binding pocket(no: 2) in the query (biounit: 2wet.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 2NLQ GLY None
2 2GJP MAL 1.03093
3 5KQG 6VX 1.68539
4 4ISS TAR 2.15264
5 2ZJ1 ARJ 2.22222
6 2ZJ1 NAD 2.22222
7 5TDF 7A3 2.32019
8 1M2Z BOG 2.33463
9 2O2C G6Q 2.54403
10 3R5T VBN 2.62295
11 1VJ7 GPX 2.79898
12 5AHO TLA 2.97619
13 1RKX NAD 3.08123
14 1P6O HPY 3.10559
15 4ZM4 PLP 3.13199
16 6DND PLP 3.16302
17 1UJ5 5RP 3.52423
18 2BTM PGA 3.96825
19 2E2P ADP 4.01338
20 6BVE PGA 4.08163
21 3MN5 LAB 4.17827
22 2QRK AMP 4.31472
23 3V2U GLA 4.3379
24 5YBL AKG 4.4586
25 4JGP PYR 5.06912
26 3HBN UDP 5.31915
27 4YMZ 13P 5.57769
28 2YAJ 4HP 6.97674
29 3OF1 CMP 7.31707
30 5AHN IMP 7.77096
31 3GDH SAH 9.54357
32 3DUV KDO 11.0687
33 1TH8 ADP 12.069
34 1JJV ATP 15.534
35 6FTB M0E 18.5714
36 4BI7 PGA 18.677
37 2HYQ MAN MAN 19.6721
Pocket No.: 3; Query (leader) PDB : 2WET; Ligand: TRP; Similar sites found with APoc: 44
This union binding pocket(no: 3) in the query (biounit: 2wet.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1YFS ALA 1.29032
2 6BWL NAD 1.52439
3 4IJ6 SEP 1.89573
4 1TLL NAP 1.95695
5 6GIU L69 2.16606
6 2X0K PPV 2.36686
7 1TE2 PGA 2.65487
8 4G6I RS3 2.85714
9 5CDH TLA 2.97619
10 3L9R L9R 3.06122
11 1Z45 NAD 3.13112
12 1PVN MZP 3.19149
13 2Y88 2ER 3.27869
14 3KJS DQ1 3.32681
15 3RIY NAD 3.663
16 5BU2 AMP 3.74449
17 1NJR XYL 3.87324
18 2IMP NAI 3.9666
19 1JBW ACQ 3.97196
20 4ARU TLA 4.11622
21 5ECP ATP 4.30528
22 5ECP MET 4.30528
23 5ECP JAA 4.30528
24 3O0Q TTP 4.30528
25 5O4J 9KH 4.37956
26 5O4J SAH 4.37956
27 1RYD GLC 4.39277
28 3BP1 GUN 5.17241
29 4NTC FAD 5.37313
30 5AYV KPL 5.50162
31 4OPC FDA 5.96026
32 4OPC PGT 5.96026
33 4Z87 5GP 6.06654
34 6DNT NAD 6.10465
35 4AF0 IMP 6.45793
36 4Z0G 5GP 7.50605
37 3HCH RSM 7.53425
38 5ANU 58T 7.59494
39 4A34 FUL 8.16327
40 5GVH FMN 8.59873
41 4IXH IMP 8.86427
42 3O9L LPN 9.03614
43 4TQK NAG 9.1133
44 3WUR O4B 12.2807
Pocket No.: 4; Query (leader) PDB : 2WET; Ligand: FAD; Similar sites found with APoc: 68
This union binding pocket(no: 4) in the query (biounit: 2wet.bio2) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 1N1G BCP 1.36612
2 3KC1 2T6 1.48368
3 5A1S FLC 1.5625
4 6GNF ADP 1.76125
5 1US5 GLU 1.91083
6 3CV2 OXL 1.95695
7 4A0S NAP 2.01342
8 5YFT RI2 2.16049
9 2GZ3 NAP 2.18579
10 2HIM ASN 2.23464
11 1OFL ASG GCD 2.2869
12 1O5Q PYR 2.29508
13 2ZIF SAM 2.3569
14 1LVW TYD 2.37288
15 4NBT NAD 2.5
16 6BFN DL1 2.63158
17 2WQQ CSF 2.74914
18 3ZJX BOG 2.76817
19 2A9G ARG 2.87081
20 2UW1 GVM 2.95858
21 1BW9 PPY 3.08989
22 2V73 SIA 3.14136
23 2GMM MAN MAN 3.1746
24 3U9Z ADP 3.2
25 5HRA DAS 3.40426
26 1T9D P22 3.5225
27 5CAE SIN 3.5443
28 2QQF A1R 3.57143
29 2WTN FER 3.58566
30 5FI3 NAP 3.64146
31 4DPL NAP 3.89972
32 2CUN 3PG 4.14634
33 1YB5 NAP 4.2735
34 1WPQ 13P 4.29799
35 5G3Y ADP 4.42478
36 1O8B ABF 4.56621
37 5IN3 G1P 4.98753
38 4JBL MET 5.01475
39 5LU5 M7P 5.07614
40 1JAY NAP 5.18868
41 1WAP TRP 5.33333
42 3RK1 ATP 5.48523
43 1RTF BEN 5.55556
44 4GNC ASO 5.68562
45 1M2O GNP 5.78947
46 3CV3 UDP 5.91133
47 2P8O BVA 6.10687
48 3ZZQ