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Receptor
PDB id Resolution Class Description Source Keywords
5G3U 2.38 Å EC: 1.4.3.23 THE STRUCTURE OF THE L-TRYPTOPHAN OXIDASE VIOA FROM CHROMOBACTERIUM VIOLACEUM IN COMPLEX WITH ITS INHIBITOR 2-(1 H-INDOL-3-YLMETHYL)PROP-2-ENOIC ACID CHROMOBACTERIUM VIOLACEUM OXIDOREDUCTASE VIOLACEIN L-TRYPTOPHAN OXIDASE FLAVOENZYMETRYPTOPHAN DERIVATIVE INHIBITOR 2-(1H-INDOL-3-YLMETHYL)PROP-2-ENOIC ACID PROPENOIC ACID
Ref.: BIOSYNTHESIS OF VIOLACEIN: STRUCTURE AND FUNCTION O L-TRYPTOPHAN OXIDASE VIOA CHROMOBACTERIUM VIOLACEUM J.BIOL.CHEM. V. 291 20068 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:421;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ITW B:420;
A:420;
Valid;
Valid;
none;
none;
Kd = 42.6 uM
201.221 C12 H11 N O2 C=C(C...
FDA B:419;
A:419;
Valid;
Valid;
none;
none;
submit data
787.566 C27 H35 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5G3U 2.38 Å EC: 1.4.3.23 THE STRUCTURE OF THE L-TRYPTOPHAN OXIDASE VIOA FROM CHROMOBACTERIUM VIOLACEUM IN COMPLEX WITH ITS INHIBITOR 2-(1 H-INDOL-3-YLMETHYL)PROP-2-ENOIC ACID CHROMOBACTERIUM VIOLACEUM OXIDOREDUCTASE VIOLACEIN L-TRYPTOPHAN OXIDASE FLAVOENZYMETRYPTOPHAN DERIVATIVE INHIBITOR 2-(1H-INDOL-3-YLMETHYL)PROP-2-ENOIC ACID PROPENOIC ACID
Ref.: BIOSYNTHESIS OF VIOLACEIN: STRUCTURE AND FUNCTION O L-TRYPTOPHAN OXIDASE VIOA CHROMOBACTERIUM VIOLACEUM J.BIOL.CHEM. V. 291 20068 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5G3T - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
2 5G3S - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
3 5G3U Kd = 42.6 uM ITW C12 H11 N O2 C=C(Cc1c[n....
4 5ZBD - TRP C11 H12 N2 O2 c1ccc2c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5G3T - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
2 5G3S - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
3 5G3U Kd = 42.6 uM ITW C12 H11 N O2 C=C(Cc1c[n....
4 5ZBD - TRP C11 H12 N2 O2 c1ccc2c(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5G3T - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
2 5G3S - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
3 5G3U Kd = 42.6 uM ITW C12 H11 N O2 C=C(Cc1c[n....
4 5ZBD - TRP C11 H12 N2 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ITW; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 ITW 1 1
2 IAC 0.680851 0.806452
3 IOP 0.528302 0.78125
4 3IB 0.5 0.757576
5 4Z9 0.5 0.714286
6 3IL 0.5 0.714286
7 TRP 0.491228 0.694444
8 DTR 0.491228 0.694444
9 TR7 0.412698 0.615385
Ligand no: 2; Ligand: FDA; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 FDA 1 1
2 FNK 0.691781 0.965517
3 F2N 0.647436 0.976744
4 FAS 0.641892 0.906977
5 FAD 0.641892 0.906977
6 SFD 0.630872 0.787879
7 6FA 0.61745 0.896552
8 6YU 0.586207 0.903226
9 RFL 0.585987 0.876405
10 FAD NBT 0.584906 0.902174
11 FAY 0.579618 0.895349
12 62F 0.573248 0.895349
13 FA9 0.554217 0.918605
14 FAD CNX 0.551515 0.873684
15 P5F 0.545455 0.920455
16 FNR 0.532258 0.892857
17 FAD NBA 0.526012 0.873684
18 A2D 0.516667 0.833333
19 AR6 0.5 0.811765
20 APR 0.5 0.811765
21 M33 0.496 0.823529
22 BA3 0.495935 0.833333
23 P6G FDA 0.494186 0.827957
24 B4P 0.491935 0.833333
25 AP5 0.491935 0.833333
26 ANP 0.488372 0.813953
27 AGS 0.484375 0.795455
28 SAP 0.484375 0.795455
29 HEJ 0.480315 0.833333
30 ATP 0.480315 0.833333
31 ADP 0.48 0.833333
32 48N 0.479167 0.818182
33 FB0 0.478261 0.819149
34 AQP 0.476562 0.833333
35 5FA 0.476562 0.833333
36 AT4 0.47619 0.804598
37 AN2 0.47619 0.823529
38 GTA 0.475524 0.831461
39 AD9 0.472868 0.813953
40 3OD 0.471014 0.835294
41 FAE 0.46988 0.896552
42 ATF 0.469697 0.804598
43 AP0 0.469388 0.860465
44 ACP 0.46875 0.835294
45 OAD 0.467153 0.835294
46 9X8 0.467153 0.795455
47 PAJ 0.463235 0.808989
48 A1R 0.463235 0.827586
49 A3R 0.463235 0.827586
50 G3A 0.461538 0.83908
51 T5A 0.46 0.896552
52 A22 0.459259 0.845238
53 G5P 0.458333 0.83908
54 6YZ 0.455224 0.835294
55 DQV 0.455172 0.845238
56 ACQ 0.454545 0.835294
57 PRX 0.453846 0.793103
58 5AL 0.451128 0.823529
59 ADX 0.449612 0.741935
60 CA0 0.449612 0.813953
61 50T 0.446154 0.802326
62 8QN 0.445255 0.823529
63 ABM 0.444444 0.790698
64 A 0.443548 0.809524
65 AMP 0.443548 0.809524
66 TXE 0.442953 0.892857
67 OMR 0.442953 0.782609
68 ADQ 0.442029 0.813953
69 AMO 0.442029 0.825581
70 ADJ 0.440789 0.822222
71 139 0.440789 0.862069
72 B5M 0.440559 0.837209
73 BIS 0.439716 0.786517
74 PTJ 0.439716 0.818182
75 ME8 0.439716 0.771739
76 TXA 0.439716 0.825581
77 AFH 0.438356 0.788889
78 A4P 0.437086 0.876405
79 6V0 0.436242 0.882353
80 UP5 0.436242 0.880952
81 TXD 0.436242 0.870588
82 DND 0.436242 0.825581
83 NXX 0.436242 0.825581
84 5SV 0.434783 0.758242
85 SRP 0.433824 0.804598
86 4AD 0.431655 0.816092
87 B5Y 0.430556 0.837209
88 P1H 0.430303 0.842697
89 FYA 0.429577 0.823529
90 AHX 0.428571 0.797753
91 SRA 0.428571 0.772727
92 P33 FDA 0.427778 0.821053
93 MAP 0.427536 0.795455
94 AU1 0.427481 0.813953
95 NAI 0.426667 0.870588
96 25L 0.426573 0.845238
97 AP2 0.426357 0.825581
98 A12 0.426357 0.825581
99 CNV FAD 0.426136 0.876405
100 EAD 0.423313 0.862069
101 COD 0.423077 0.806452
102 PR8 0.422535 0.8
103 T99 0.422222 0.804598
104 TAT 0.422222 0.804598
105 APC 0.421053 0.825581
106 4TC 0.421053 0.882353
107 NB8 0.41958 0.797753
108 1ZZ 0.41958 0.771739
109 4UU 0.418919 0.837209
110 GA7 0.418919 0.825581
111 00A 0.41844 0.786517
112 ADV 0.41791 0.804598
113 RBY 0.41791 0.804598
114 A3D 0.417722 0.835294
115 NAX 0.417219 0.862069
116 OOB 0.414286 0.823529
117 25A 0.414286 0.833333
118 LAD 0.412587 0.788889
119 UPA 0.411765 0.870588
120 CNA 0.410256 0.825581
121 80F 0.408805 0.833333
122 DLL 0.408451 0.823529
123 XAH 0.408163 0.771739
124 4UW 0.407895 0.829545
125 F2R 0.407643 0.793478
126 ADP PO3 0.407407 0.788235
127 DAL AMP 0.407143 0.802326
128 3UK 0.405594 0.835294
129 4UV 0.405405 0.837209
130 TYM 0.405229 0.825581
131 NAD 0.405063 0.823529
132 9ZD 0.404255 0.827586
133 9ZA 0.404255 0.827586
134 9SN 0.40411 0.797753
135 VO4 ADP 0.402878 0.781609
136 ADP VO4 0.402878 0.781609
137 WAQ 0.402778 0.806818
138 B5V 0.402778 0.825581
139 YAP 0.401361 0.816092
140 FA5 0.401361 0.825581
141 YLP 0.401316 0.793478
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5G3U; Ligand: ITW; Similar sites found with APoc: 961
This union binding pocket(no: 1) in the query (biounit: 5g3u.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 2CDU ADP 0.945626
2 2CDU FAD 0.945626
3 1PJS NAD 1.18203
4 3T31 FAD 1.18203
5 3T31 DCQ 1.18203
6 4XB2 NDP 1.19403
7 4XB2 HSE 1.19403
8 3D3W NAP 1.22951
9 1PR9 NAP 1.22951
10 5Z21 NAI 1.39665
11 5BRT FAD 1.41844
12 5VN0 FAD 1.41844
13 5BRT CH9 1.41844
14 5VN0 NAI 1.41844
15 1QMG APX 1.41844
16 3NJ4 NAD 1.41844
17 3AIA SAM 1.4218
18 1FWV SGA MAG FUC 1.49254
19 3VSE SAH 1.50754
20 6BQ6 TER 1.51057
21 5IKB KAI 1.55642
22 4JDR FAD 1.65485
23 4Z24 FAD 1.65485
24 5MQ6 NDP 1.65485
25 2A8X FAD 1.65485
26 2FR1 NDP 1.65485
27 3FW9 SLX 1.65485
28 4XQC 13D 1.65485
29 4XQC NAD 1.65485
30 1SAY PYR 1.66205
31 4X9M FAD 1.67464
32 5BVA FAD 1.71149
33 1X7D NAD 1.71429
34 2B4R AES 1.73913
35 2B4R NAD 1.73913
36 1NVM NAD 1.73913
37 2GSD NAD 1.74129
38 6FHO FAD 1.75439
39 1R6D NAD 1.78042
40 1R6D DAU 1.78042
41 4DMG SAM 1.78117
42 4GKV NAD 1.78571
43 1F8G NAD 1.82292
44 1L7E NAI 1.82292
45 6BWL NAD 1.82927
46 5T9E NAP 1.84502
47 1F06 2NP 1.875
48 1F06 NDP 1.875
49 3EF0 ALF 1.88172
50 2FK8 SAM 1.88679
51 1LVL NAD 1.89125
52 3Q9T FAY 1.89125
53 1MV8 NAD 1.89125
54 1LVL FAD 1.89125
55 1X87 NAD 1.89125
56 1MUU NAD 1.89125
57 1O0S NAI 1.89125
58 4XFR CIT 1.89125
59 5A2Z GTP 1.89125
60 3S1S SAH 1.89125
61 1VJT NAD 1.89125
62 3PT9 SAH 1.89125
63 1GR0 NAD 1.90736
64 1UP7 NAD 1.91847
65 2V6G NAP 1.92308
66 4D3F NAP 1.93548
67 4USR FAD 1.93906
68 3VYW SAM 1.94805
69 5OVK NDP 1.95312
70 5UR0 NAD 2.00573
71 1P1C SAH 2.01005
72 5U5G NAP 2.0339
73 4RZ3 ADP 2.0339
74 4JWK CTN 2.07254
75 3GDH SAH 2.07469
76 3V1Y NAD 2.07715
77 4RDH AMP 2.08333
78 4RDI ATP 2.08333
79 2YX1 SFG 2.08333
80 1Z82 NDP 2.08955
81 2JL1 NAP 2.09059
82 3SQP FAD 2.09205
83 2DC1 NAD 2.11864
84 5F8F SFG 2.12202
85 2XVF FAD 2.12766
86 5GSN MMZ 2.12766
87 5EB4 FAD 2.12766
88 1ZK7 FAD 2.12766
89 5EVY FAD 2.12766
90 5GSN FAD 2.12766
91 5GSN NAP 2.12766
92 6F3M NAD 2.12766
93 5JCM FAD 2.12766
94 5JCM NAD 2.12766
95 5JCM ISD 2.12766
96 1CDO NAD 2.13904
97 1F8F NAD 2.15633
98 4D79 ATP 2.17391
99 1LTH NAD 2.19436
100 1GZ6 NAI 2.19436
101 5TUF TDC 2.20049
102 5TUF FAD 2.20049
103 3T7S SAM 2.23881
104 1KOL NAD 2.26131
105 3H5N ATP 2.26629
106 4NEC SAH 2.27273
107 4TXI FAD 2.27642
108 4TSK NDP 2.28571
109 4B4U NAP 2.31023
110 5JE8 NAD 2.31788
111 2VT3 ATP 2.32558
112 4JJF FE9 2.32558
113 5O4F 8VE 2.32558
114 4JJF N2I 2.32558
115 1FK8 NAD 2.33463
116 2PV7 NAD 2.34899
117 4YAC NAI 2.3569
118 3S5W NAP 2.36407
119 3S5W FAD 2.36407
120 6H3O FAD 2.36407
121 1DJN ADP 2.36407
122 3UOY NAP 2.36407
123 3UOY FAD 2.36407
124 3V1U NAD 2.36407
125 5KOX FAD 2.36407
126 1MO9 FAD 2.36407
127 5KOX RFP 2.36407
128 1MO9 KPC 2.36407
129 5Y6N ADP 2.36407
130 4YT4 FE9 2.4
131 5JGL SAM 2.42215
132 1GAD NAD 2.42424
133 5EES NAP 2.42915
134 5I3B HQE 2.43902
135 5THY SAH 2.46914
136 5THZ SAH 2.46914
137 1SC6 NAD 2.47525
138 3FZG SAM 2.5
139 1A5Z NAD 2.50784
140 3BXO SAM 2.51046
141 3DAG FEG 2.51397
142 3WMX NAD 2.51397
143 3HDY FAD 2.51889
144 3HDY FDA 2.51889
145 3HDY GDU 2.51889
146 3GGO NAI 2.54777
147 3GGO ENO 2.54777
148 1JG3 ADN 2.55319
149 4CNK FAD 2.55754
150 4ZRN NAD 2.5641
151 1KEV NDP 2.5641
152 1P77 ATR 2.57353
153 3FUU ADN 2.58303
154 1OC2 TDX 2.58621
155 1OC2 NAD 2.58621
156 5KVS NAP 2.5974
157 5EJ2 NAD 2.5974
158 5KVS 6XR 2.5974
159 2HQM FAD 2.60047
160 3NT6 FAD 2.60047
161 3E1T FAD 2.60047
162 3NTA FAD 2.60047
163 5UAO FAD 2.60047
164 3NTD FAD 2.60047
165 4J1Q NDP 2.60047
166 5U8U FAD 2.60047
167 5Z20 NAI 2.6087
168 1KGZ PRP 2.6087
169 3WBF NAP 2.62295
170 3WBF API 2.62295
171 5NM7 GLY 2.63158
172 3WLE NAD 2.6393
173 1O6Z NAD 2.64026
174 5MPT SAH 2.657
175 1VI2 NAD 2.66667
176 4DCM SAM 2.66667
177 1B0U ATP 2.67176
178 5OJL TXP 2.68456
179 4BVA NDP 2.68657
180 5XNC MTA 2.69542
181 5NA1 FAD 2.69608
182 6DUB SAH 2.7027
183 2AHR NAP 2.7027
184 4M3P HCS 2.70936
185 3GRU AMP 2.71186
186 2QA8 GEN 2.71318
187 3ICT ADP 2.72109
188 3ICS ADP 2.72109
189 3ICT FAD 2.72109
190 3ICR FAD 2.72109
191 3ICS FAD 2.72109
192 3FG2 FAD 2.72277
193 4OBW SAM 2.72374
194 4E5N NAD 2.72727
195 1DZT ATY 2.73224
196 5OCM NAP 2.74914
197 5Z75 NAD 2.75229
198 1XTP SAI 2.75591
199 3U31 NAD 2.75862
200 4HSE ADP 2.77078
201 1NPD NAD 2.77778
202 1NVT NAP 2.78746
203 5LD5 NAD 2.7933
204 1OMO NAD 2.79503
205 4XYB NDP 2.8133
206 3EWP APR 2.82486
207 1JAY NAP 2.83019
208 2E5V FAD 2.83688
209 4HA6 FAD 2.83688
210 6C4T NA7 2.83688
211 1BZL FAD 2.83688
212 1FEC FAD 2.83688
213 1Q9I TEO 2.83688
214 1Q9I FAD 2.83688
215 3UCL CYH 2.83688
216 3UCL FAD 2.83688
217 3UCL NAP 2.83688
218 4AZW SAM 2.83688
219 1BZL GCG 2.83688
220 2G5C NAD 2.84698
221 1XG5 NAP 2.86738
222 4U00 ADP 2.86885
223 6AIN FAD 2.87081
224 2OFW ADX 2.88462
225 3NYC FAD 2.88714
226 3NYC IAR 2.88714
227 3C6K SPD 2.88714
228 3C6K MTA 2.88714
229 2Q0L NAP 2.89389
230 2Q0L FAD 2.89389
231 1GV0 NAD 2.90323
232 1GUZ NAD 2.90323
233 3VPH NAD 2.90323
234 3VPH OXM 2.90323
235 4OM8 NAD 2.91262
236 3EGI ADP 2.91262
237 1JI0 ATP 2.91667
238 3A06 NDP 2.92553
239 4EMI FAD 2.92683
240 2CUN 3PG 2.92683
241 4EMI NAD 2.92683
242 5W3K 9TY 2.94118
243 1P0F NAP 2.94906
244 3ITJ CIT 2.95858
245 3ITJ FAD 2.95858
246 2RGJ FAD 2.98507
247 4MO2 FDA 2.98913
248 4MO2 FAD 2.98913
249 4M52 FAD 3.00429
250 4M52 M52 3.00429
251 5BJX UDP 3.00546
252 5BJX NAD 3.00546
253 2XVM SAH 3.01508
254 2CUL FAD 3.01724
255 5N2I NAP 3.01724
256 5HS2 CTP 3.01724
257 5AGR A52 3.01724
258 3PUR 2HG 3.0303
259 6F5Z SAH 3.0303
260 5M58 SAH 3.04348
261 4FZV SAM 3.06407
262 4DPL NAP 3.06407
263 1E3W NAD 3.06513
264 1EBF NAD 3.07263
265 3IHG FAD 3.07329
266 5H81 NAP 3.07329
267 5JWC FAD 3.07329
268 5J5Z FAD 3.07329
269 4EPL JAI 3.07329
270 1GQ2 NAP 3.07329
271 4KVL PLM 3.07329
272 3A4M ADP 3.07692
273 1E6W NAD 3.07692
274 1VE3 SAM 3.0837
275 4ZGS NAD 3.10881
276 4YAG NAI 3.11419
277 5HJM MTA 3.125
278 3ZNN 4WL 3.17003
279 3ZNN FAD 3.17003
280 2VHW NAI 3.18302
281 1M0S CIT 3.19635
282 5BSZ SAH 3.2
283 1O5I NAD 3.21285
284 3JWH SAH 3.22581
285 2BGM NAJ 3.23741
286 4LWP SAH 3.26087
287 1C3V NDP 3.26531
288 1I8T FAD 3.26975
289 1KYQ NAD 3.28467
290 2BRY FAD 3.30969
291 2JHP SAH 3.30969
292 1Z45 NAD 3.30969
293 3BC9 ACR 3.30969
294 4EUE NAI 3.30969
295 2Z48 NGA 3.30969
296 1W6U NAP 3.31126
297 1W8D NAP 3.31126
298 1W73 NAP 3.31126
299 5VKT NAP 3.31492
300 1NYT NAP 3.32103
301 4PLT OXM 3.32326
302 4PLT NAI 3.32326
303 1KJ8 GAR 3.32481
304 1WDK NAD 3.33333
305 1BC5 SAH 3.34572
306 3AXB PRO 3.34821
307 3AXB FAD 3.34821
308 4LZB URA 3.36134
309 2GDZ NAD 3.37079
310 1JQ3 AAT 3.37838
311 2Q7V FAD 3.38462
312 1MZV AMP 3.40426
313 5GT9 NAP 3.42205
314 5K4W NAI 3.42679
315 5TUK FAD 3.43137
316 1ZEM NAD 3.43511
317 2EJU SAH 3.43915
318 1U7T NAD 3.44828
319 3TKA SAM 3.45821
320 2W58 ADP 3.46535
321 1DL5 SAH 3.47003
322 1LDN NAD 3.48101
323 2WE0 UMP 3.4965
324 2YYY NAP 3.49854
325 5CAE COA 3.51438
326 5CAE SIN 3.51438
327 5GWX SAR 3.52113
328 5GWX SAM 3.52113
329 1NJR XYL 3.52113
330 5W7K SAH 3.52564
331 4JNA FAD 3.52941
332 2DKH FAD 3.5461
333 4YKG FAD 3.5461
334 2RGH FAD 3.5461
335 2DKH 3HB 3.5461
336 6C4M NAP 3.5461
337 5KMS FAD 3.5461
338 5N0J FAD 3.5461
339 1ZGS XMM 3.5461
340 3ULK NDP 3.5461
341 4YKG NAD 3.5461
342 5E4R NAP 3.5461
343 5KMS NAD 3.5461
344 4XDY NAI 3.5503
345 1UXG NAD 3.55987
346 1UXG FUM 3.55987
347 5DN9 NAD 3.57143
348 3KB6 NAD 3.59281
349 4MDH NAD 3.59281
350 4RSL FAD 3.59551
351 5GWT NAD 3.59712
352 5GWT SIN 3.59712
353 3LXD FAD 3.61446
354 2O07 MTA 3.61842
355 2O07 SPD 3.61842
356 1KTG AMP 3.62319
357 2RGO FAD 3.62438
358 5OYH T99 3.62694
359 1HKU NAD 3.63128
360 2HK9 ATR 3.63636
361 5K0A FAD 3.63636
362 2HK9 NAP 3.63636
363 2GCG NDP 3.63636
364 3NUG NAD 3.64372
365 1LDM NAD 3.64742
366 4HXY NDP 3.65297
367 3A25 SAM 3.65448
368 2VDV SAM 3.65854
369 3Q3C NAD 3.67893
370 6C8R SAH 3.69393
371 4QTU SAM 3.7037
372 2BKX F6R 3.71901
373 3K5I AIR 3.72208
374 1WPQ NAD 3.72493
375 2PT9 S4M 3.73832
376 2PT9 2MH 3.73832
377 5BW4 SAM 3.74532
378 1QO8 FAD 3.78251
379 2C7G ODP 3.78251
380 2C7G FAD 3.78251
381 1KNR FAD 3.78251
382 3LAD FAD 3.78251
383 4YNU LGC 3.78251
384 4K5S FAD 3.78251
385 4YNU FAD 3.78251
386 4AT0 FAD 3.78251
387 4B63 ORN 3.78251
388 4B63 NAP 3.78251
389 4B63 FAD 3.78251
390 5WGR FAD 3.78251
391 2ZXI FAD 3.78251
392 6FP4 FAD 3.78251
393 1SQF SAM 3.78251
394 4K5S PM0 3.78251
395 2Q1W NAD 3.78251
396 6FP4 E1T 3.78251
397 5ERG SAM 3.78251
398 5XHA FRU 3.78251
399 4P86 5GP 3.82514
400 1L1E SAH 3.83275
401 1IZC PYR 3.83481
402 5ZZ6 NAD 3.84615
403 5X20 NAD 3.84615
404 5ZI9 FLC 3.84615
405 5ZZ6 ADP 3.84615
406 4GLL NAD 3.85757
407 1Q0S SAH 3.861
408 4QCK ASD 3.88601
409 1J49 NAD 3.9039
410 1V6A TRE 3.91566
411 5XVH NAP 3.92157
412 1DIG NAP 3.92157
413 4Y9D NAI 3.93443
414 4FN4 NAD 3.93701
415 1IK4 PGH 3.94737
416 3FPZ AHZ 3.98773
417 4POO SAM 4
418 4FWE FAD 4.01891
419 3GDN HBX 4.01891
420 3GDN FAD 4.01891
421 1E1M FAD 4.01891
422 1E1M NAP 4.01891
423 2JJQ SAH 4.01891
424 4TM3 FAD 4.01891
425 1D1T NAD 4.02145
426 4URF NAD 4.03226
427 5UAV NDP 4.03727
428 5UAV TFB 4.03727
429 3GYQ SAM 4.04412
430 3GEG NAD 4.04858
431 1F3L SAH 4.04984
432 5X68 FAD 4.09207
433 3LA3 2FT 4.11523
434 3RFV 15L 4.11985
435 3RFV NAI 4.11985
436 1IY8 NAD 4.11985
437 1VHT BA3 4.12844
438 6FLZ MMA 4.16667
439 1O94 ADP 4.16667
440 4NTC FAD 4.1791
441 2EV9 SKM 4.18251
442 2EV9 NAP 4.18251
443 1A4R GDP 4.18848
444 4PLG NAI 4.19162
445 4PLG OXM 4.19162
446 1CER NAD 4.22961
447 2I7C AAT 4.24028
448 1D4D FAD 4.25532
449 1NAA 6FA 4.25532
450 1NAA ABL 4.25532
451 2XVE FAD 4.25532
452 4R5M NAP 4.25532
453 5VLQ ANP 4.25532
454 2OUA AES 4.25532
455 2WK1 SAH 4.25532
456 4RPL FAD 4.26065
457 4RPL 3UC 4.26065
458 5KVA SAM 4.31655
459 2NXE SAM 4.33071
460 5N6C NAD 4.33333
461 1Y8Q ATP 4.33526
462 5EZ7 FAD 4.33673
463 1J5P NAD 4.34783
464 1WY7 SAH 4.34783
465 4XDZ NDP 4.37318
466 2ZIF SAM 4.3771
467 1UJ5 5RP 4.40529
468 1R18 SAH 4.40529
469 3KLJ FAD 4.41558
470 4G05 JZ3 4.4164
471 3HIY UTP 4.42708
472 1KEW NAD 4.43213
473 1KEW TYD 4.43213
474 3AYI HCI 4.49173
475 3AYI FAD 4.49173
476 5ZYN FAD 4.49173
477 3QVP FAD 4.49173
478 4MIG G3F 4.49173
479 1Q1R FAD 4.49173
480 5DNK SAH 4.49173
481 6ER9 NAP 4.49173
482 6ER9 FAD 4.49173
483 2AQJ FAD 4.49173
484 1CF2 NAP 4.49173
485 2AQJ TRP 4.49173
486 4C4A SAH 4.49173
487 3P2E SAH 4.49173
488 1LJ8 NAD 4.49173
489 4KOA NDP 4.5045
490 2P7Q GG6 4.51128
491 1YS4 NAP 4.51977
492 5NII FAD 4.53074
493 2DPM SAM 4.57746
494 6BU0 IHP 4.58015
495 4YMH SAH 4.58333
496 5DXA SFG 4.58453
497 5DX1 SFG 4.58453
498 5DX8 SFG 4.58453
499 5DWQ SFG 4.58453
500 5DX0 SFG 4.58453
501 1YJQ NAP 4.62046
502 4JK3 NAD 4.6332
503 4J4H NAI 4.6332
504 3B9Q MLI 4.63576
505 3F8D FAD 4.64396
506 2FKA BEF 4.65116
507 5LWY OLB 4.6729
508 2F5Z FAD 4.6875
509 1L3I SAH 4.6875
510 5EOW FAD 4.69136
511 2NVK NAP 4.72813
512 1GPE FAD 4.72813
513 2WPF WPF 4.72813
514 2WPF FAD 4.72813
515 3G5S FAD 4.72813
516 6C4N NAP 4.72813
517 2NVK FAD 4.72813
518 4C3Y FAD 4.72813
519 2NPX FAD 4.72813
520 4C3Y ANB 4.72813
521 2IXB NAD 4.72813
522 2WA2 SAM 4.72813
523 2NPX NAD 4.72813
524 2IXB A2G 4.72813
525 1WVG APR 4.73538
526 3A4T SFG 4.74453
527 5O4J SAH 4.74453
528 5O4J PJL 4.74453
529 5O4J 9KH 4.74453
530 1TDF FAD 4.74684
531 1TDF NAP 4.74684
532 1RM4 NDP 4.74777
533 6GNC FAD 4.7619
534 4YCA NDP 4.7619
535 1SQL GUN 4.79452
536 4RQU NAD 4.8
537 2PZE ATP 4.80349
538 3BAZ NAP 4.8048
539 1OFZ FUC 4.80769
540 4X1Z FUC GAL NDG 4.81928
541 1FL2 FAD 4.83871
542 2EG5 SAH 4.83871
543 2J73 GLC GLC GLC 4.85437
544 6GNA FAD 4.86111
545 2HMT NAI 4.86111
546 2D5A COA 4.86111
547 1D4O NAP 4.8913
548 2ZHZ ATP 4.91803
549 2AG8 NAP 4.94297
550 2GVC FAD 4.96454
551 2GV8 FAD 4.96454
552 5NMX FAD 4.96454
553 1VQW FAD 4.96454
554 4D04 NAP 4.96454
555 4D04 FAD 4.96454
556 5NMX NAP 4.96454
557 2GV8 NDP 4.96454
558 1V8B NAD 4.96454
559 5G6U TRP 4.98084
560 4CQM NAP 4.98084
561 1ZGA SAH 5.04202
562 4L8V NAP 5.04451
563 2GAG NAD 5.05051
564 2GAG FAD 5.05051
565 2GAG FOA 5.05051
566 1AJ8 CIT 5.12129
567 3B1F NAD 5.17241
568 3CBG SAH 5.17241
569 5X62 SAH 5.17241
570 5AYV NAP 5.17799
571 5AYV KPL 5.17799
572 3ORF NAD 5.17928
573 1WP4 NDP 5.19031
574 2CVZ NDP 5.19031
575 5MIT NAP 5.19878
576 5MIT FAD 5.19878
577 4NBU NAI 5.2
578 4EIP FAD 5.20095
579 4EIP K2C 5.20095
580 4ITU NAI 5.20446
581 2EWM NAD 5.22088
582 6DNT NAD 5.23256
583 1C0I FAD 5.23416
584 1C0I BE2 5.23416
585 4M37 SAH 5.24781
586 2AWN ADP 5.24934
587 4REP FAD 5.25253
588 3CIF NAD 5.29248
589 3CIF G3H 5.29248
590 3D36 ADP 5.32787
591 1NW5 SAM 5.32915
592 1JNR FAD 5.33333
593 1BXK NAD 5.35211
594 3H22 B53 5.38721
595 2IVD FAD 5.43735
596 4OPC PGT 5.43735
597 4OPC FDA 5.43735
598 4BV6 FAD 5.43735
599 6FXR AKG 5.43735
600 5W7M SAH 5.44872
601 4H2D FMN 5.45455
602 3H9E NAD 5.49133
603 5GZ6 NDP 5.52147
604 5GZ6 7C3 5.52147
605 5YAP NAI 5.52632
606 5YAP 8S0 5.52632
607 3OII SAH 5.5336
608 3MAG SAH 5.53746
609 6AM8 TRP 5.55556
610 4KIB SAH 5.60224
611 3G89 SAM 5.62249
612 5J60 FAD 5.625
613 3CTY FAD 5.64263
614 4K55 H6P 5.64516
615 1G8S MET 5.65217
616 1RSG FAD 5.67376
617 1YY5 FAD 5.67376
618 2GMH FAD 5.67376
619 6F97 FAD 5.67376
620 5BUK FAD 5.67376
621 3GD4 FAD 5.67376
622 5Y77 FAD 5.67376
623 3GD4 NAD 5.67376
624 1Z6Z NAP 5.67376
625 1OBB NAD 5.67376
626 3MCT SAH 5.72391
627 6GAR FAD 5.73066
628 2GUD MAN 5.7377
629 3WGT FAD 5.76369
630 3WGT QSC 5.76369
631 2Y6Q FAD 5.77889
632 2Y6Q I7T 5.77889
633 1UAY ADN 5.78512
634 3L9W AMP 5.81114
635 3L9W GSH 5.81114
636 2AOT SAH 5.82192
637 5OFW 9TW 5.8296
638 4MOP 2H5 5.84518
639 4IAW LIZ 5.85106
640 2NAD NAD 5.85242
641 1ZH8 NAP 5.88235
642 4TQG NDP 5.88235
643 1PL6 NAD 5.89888
644 1PL6 572 5.89888
645 2JB2 FAD 5.91017
646 2JB2 PHE 5.91017
647 1COY FAD 5.91017
648 2WET FAD 5.91017
649 1COY AND 5.91017
650 1ELI PYC 5.9126
651 1R0X ATP 5.94406
652 3L4S NAD 5.95238
653 3L4S 3PG 5.95238
654 3OA2 NAD 5.97484
655 1X14 NAD 5.98504
656 1RP0 AHZ 5.98592
657 4J36 1HR 6.0241
658 3GMB FAD 6.0241
659 4J36 FAD 6.0241
660 1U6R ADP 6.05263
661 5MZI FAD 6.07375
662 5MZI FYK 6.07375
663 4XZ3 COA 6.08696
664 1YKJ PHB 6.09137
665 1YKJ FAD 6.09137
666 4USQ FAD 6.09418
667 3AB1 FAD 6.11111
668 4YRY FAD 6.14657
669 2QA1 FAD 6.14657
670 4YRY NAD 6.14657
671 2Q28 ADP 6.14657
672 4AMV F6R 6.14657
673 1G60 SAM 6.15385
674 2X6T NAP 6.16247
675 1RJW ETF 6.19469
676 2A92 NAI 6.23053
677 1OXV ANP 6.23229
678 5JCJ NAP 6.25
679 5K6A NAP 6.25
680 5JDI NAP 6.25
681 3BMN NAP 6.25
682 6F9Q NAD 6.25
683 5JDC NAP 6.25
684 3JQ7 NAP 6.25
685 4CM4 NAP 6.25
686 3JQA NAP 6.25
687 3JQF NAP 6.25
688 2HNK SAH 6.27615
689 2CDC NAP 6.28415
690 2CDC XYP 6.28415
691 2CDC XYS 6.28415
692 1MJT ITU 6.34006
693 5TCI 79V 6.34146
694 4UP3 NDP 6.36943
695 4UP3 FAD 6.36943
696 2YVJ NAI 6.37255
697 2YVJ FAD 6.37255
698 2YVF NAD 6.37255
699 2YVF FAD 6.37255
700 3NKS FAD 6.38298
701 2IID PHE 6.38298
702 2IID FAD 6.38298
703 3CGB FAD 6.38298
704 3CGD FAD 6.38298
705 3CGD COA 6.38298
706 1PN0 FAD 6.38298
707 1PN0 IPH 6.38298
708 3CGD NAD 6.38298
709 4KRG SAH 6.38298
710 3DXY SAM 6.42202
711 1I36 NAP 6.43939
712 3O7W SAM 6.46258
713 4NTD FAD 6.47059
714 1GOJ ADP 6.47887
715 5A04 NDP 6.48968
716 5A04 BGC 6.48968
717 6EL3 NAP 6.56168
718 2D2I NAP 6.57895
719 2O4C NAD 6.57895
720 2VYN NAD 6.58683
721 1REO FAD 6.61939
722 5GXU FMN 6.61939
723 2DFV NAD 6.62824
724 2Q1S NAI 6.6313
725 6ECU SAH 6.64557
726 1E3I CXF 6.64894
727 5N53 8NB 6.66667
728 5JCA FAD 6.69014
729 5JCA NDP 6.69014
730 3DUW SAH 6.72646
731 5E9W SAH 6.73077
732 5E8J SAH 6.73077
733 2UYQ SAM 6.77419
734 1XHC FAD 6.81199
735 2I3G NAP 6.81818
736 1XXR MAN 6.8323
737 5TS5 FAD 6.85579
738 2IZ1 ATR 6.85579
739 1H82 FAD 6.85579
740 1H82 GZZ 6.85579
741 1YQZ FAD 6.85579
742 6D6Y SAH 6.85579
743 1GTE FAD 6.85579
744 3WXL ADP 6.85579
745 5HXI FAD 6.86016
746 5HXI 5HN 6.86016
747 4Z0H NAD 6.88623
748 6GAS FAD 6.94864
749 4J56 FAD 7.01754
750 1B4B ARG 7.04225
751 5N5D SAM 7.07965
752 1GET FAD 7.0922
753 1GET NAP 7.0922
754 5WP4 SAH 7.0922
755 1EQ2 NAP 7.09677
756 5Y8L HUI 7.11864
757 5Y8L NAD 7.11864
758 4II2 ATP 7.22892
759 3QH2 3NM 7.23982
760 1O8B ABF 7.30594
761 1LUA NAP 7.31707
762 2Z3Y F2N 7.32861
763 5WP5 SAH 7.32861
764 5E1M PRO PRO LYS ARG ILE ALA 7.32861
765 5E1M SAH 7.32861
766 5TTJ FAD 7.34694
767 5I39 FAD 7.35294
768 2BOS GLA GAL GLC NBU 7.35294
769 3B20 NAD 7.37463
770 2BD0 NAP 7.37705
771 1GEG NAD 7.42188
772 5ULP KB1 7.46269
773 4EMJ FAD 7.47664
774 1H2B NAJ 7.52089
775 5TWB FAD 7.55814
776 3K7M FAD 7.56501
777 5OC1 FAD 7.56501
778 2R4J FAD 7.56501
779 2R4J 13P 7.56501
780 1SOW NAD 7.62195
781 2J5V PCA 7.62943
782 5A96 GTP 7.63052
783 4O0L NDP 7.63636
784 1DCP HBI 7.69231
785 5JE0 SAH 7.69231
786 5JE0 AZ8 7.69231
787 5YRJ BGC GLC 7.74648
788 3X0V FAD 7.80142
789 2B9W FAD 7.80142
790 5HSA FAS 7.80142
791 1YQT ADP 7.80142
792 1E5Q NDP 7.80142
793 6BII NAP 7.80781
794 9LDT NAD 7.83133
795 9LDB NAD 7.83133
796 1EZ4 NAD 7.86164
797 1BW9 NAD 7.86517
798 1BXG NAD 7.86517
799 2UZH IPE 7.87879
800 5U5N NAD 7.8853
801 1C1X NAD 7.88732
802 5YRV 5AD 8.0292
803 2RAB NAD 8.03782
804 2RAB FAD 8.03782
805 6CEP NAD 8.08383
806 6CEP OXM 8.08383
807 4OGQ 7PH 8.10811
808 1RYI FAD 8.11518
809 1RYI GOA 8.11518
810 1HDG NAD 8.13253
811 2XYQ SAH 8.19672
812 3SJU NDP 8.24373
813 3GFB NAD 8.28571
814 3OFK SAH 8.33333
815 1DSS NAD 8.40841
816 3KIF GDL 8.49057
817 6GKV SAH 8.54701
818 1QAN SAH 8.60656
819 6AA8 NAD 8.60927
820 5FI3 NAP 8.68347
821 3N8K D1X 8.72093
822 4KPM BEN 8.75
823 4CJX NAP 8.77743
824 3RKR NAP 8.77863
825 2HJR APR 8.84146
826 2YY7 NAD 8.97436
827 4JAL SAH 8.98204
828 2DT5 NAD 9.00474
829 3G2O SAM 9.0301
830 2PK3 A2R 9.03427
831 3ABI NAD 9.0411
832 3SSO SAH 9.06921
833 5T46 MGP 9.09091
834 1ZQ9 SAM 9.12281
835 1VL0 NAI 9.24658
836 2X52 GYT 9.35672
837 2NU8 COA 9.375
838 1B1C FMN 9.39227
839 5MBX SP5 9.45626
840 5MBX FAD 9.45626
841 4D7E FAD 9.45626
842 4KRI SAH 9.45626
843 1GY8 NAD 9.57179
844 4YGM URA 9.61539
845 4GUT FAD 9.67742
846 4HSU FAD 9.67742
847 4GUS FAD 9.67742
848 4IV9 FAD 9.69267
849 4D4U FUC GAL NAG 9.84127
850 1VDC FAD 9.90991
851 5J7X FAD 9.92908
852 4BJZ FAD 9.92908
853 4BJZ P3A 9.92908
854 3LZW FAD 9.93976
855 3LZW NAP 9.93976
856 5IDM ANP 10.0559
857 5YEC ATP 10.084
858 3WV8 ATP 10.0917
859 5TZO 7V7 10.1064
860 3NGL NAP 10.1449
861 1O9W NAG 10.1695
862 2DBZ NAP 10.1796
863 1IM8 SAI 10.2459
864 1Y7P RIP 10.3139
865 4MP8 MLI 10.3245
866 4MP8 NAD 10.3245
867 5ODQ FAD 10.3261
868 3ZW2 NAG GAL FUC 10.3448
869 1I9G SAM 10.3571
870 5FJN FAD 10.4019
871 5FJN BE2 10.4019
872 5AOV NAP 10.4167
873 4NBW NAD 10.5058
874 5NUE NAD 10.5422
875 5NUF NAD 10.5422
876 3MB5 SAM 10.5882
877 5E5U MLI 10.6061
878 4AP3 FAD 10.6383
879 4AP3 NAP 10.6383
880 1HYH NAD 10.6796
881 2PXX SAH 10.6977
882 1NE7 AGP 10.7266
883 3H2B SAH 10.8374
884 3X0D SAH 10.8747
885 1DRV A3D 10.8747
886 1YKF NAP 11.0795
887 1PS9 FAD 11.1111
888 1PS9 NAP 11.1111
889 2PWY SAH 11.2403
890 4NS0 PIO 11.2782
891 1NM5 NAD 11.33
892 5YB7 FAD 11.3475
893 5YB7 ORN 11.3475
894 1J0X NAD 11.4458
895 3KO8 NAD 11.5385
896 4F2Q QUS 11.6279
897 3QJ4 FAD 11.6959
898 6A3J NAI 11.7073
899 3OYW TDG 11.9403
900 4E13 NAD 12.0141
901 1V59 NAD 12.0567
902 1V59 FAD 12.0567
903 3QFA FAD 12.069
904 2F1K NAP 12.1864
905 5ABX MGP 12.1951
906 5LOG SAH 12.4464
907 5IFS ADP 12.5296
908 5LX9 OLB 12.6761
909 2E2P ADP 12.709
910 3QRC SCR 12.7389
911 4YSX FAD 12.766
912 4E03 ADP 13.1068
913 2RI1 GLP 13.1915
914 2OOR NAD 13.2184
915 2BS5 BGC GAL FUC 13.3333
916 5ZW3 SAH 13.3333
917 6F7L FAD 13.3484
918 3H8V ATP 13.3562
919 2VVL FAD 13.4752
920 2VVM FAD 13.4752
921 1FS5 TLA 13.5338
922 6BR7 BEF 13.5338
923 4ZXA H8N 13.6905
924 1R4A GNP 13.7255
925 3RNM FAD 13.7931
926 3OJO NAD 13.948
927 4ZCC FAD 14.2857
928 4ZCC NAI 14.2857
929 3OZ2 FAD 14.3577
930 5C2N NAG 14.5833
931 6GR0 F8W 14.9425
932 3LU1 NAD 15.1099
933 3AD8 NAD 15.1515
934 3AD8 PYC 15.1515
935 3AD8 FAD 15.1515
936 2OQ2 A3P 15.7088
937 3QV1 NAD 16.0237
938 1LSS NAD 16.4286
939 3GF4 FAD 17.1795
940 3GF4 UPG 17.1795
941 5D4V SAH 17.5373
942 1E6E FAD 18.75
943 3Q87 SAM 19.2
944 4DSG FAD 20.8038
945 4DSG UDP 20.8038
946 6GNO XDI 21.4815
947 4U8P FDA 21.513
948 4U8P UDP 21.513
949 5EIN NAP 22.2222
950 4GQB 0XU 22.7273
951 3C3Y SAH 22.7848
952 1UPT GTP 22.807
953 4M38 SAH 23.8095
954 3B1J NAD 24
955 5FA5 MTA 25
956 5B09 4MX 25
957 2YG3 FAD 26.2411
958 5KEW 6SB 26.5957
959 5TWJ SAM 29.0123
960 3GCM 5GP 29.2683
961 5L95 AMP 40
Pocket No.: 2; Query (leader) PDB : 5G3U; Ligand: FDA; Similar sites found with APoc: 1097
This union binding pocket(no: 2) in the query (biounit: 5g3u.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 6BKL EU7 None
2 6BKL RIM None
3 2CDU FAD 0.945626
4 2CDU ADP 0.945626
5 5TOW ADN 0.982801
6 5TOW NAI 0.982801
7 3T31 FAD 1.18203
8 3T31 DCQ 1.18203
9 1PJS NAD 1.18203
10 4XB2 NDP 1.19403
11 4XB2 HSE 1.19403
12 3D3W NAP 1.22951
13 3TKY SAH 1.3587
14 1KYZ SAH 1.36986
15 5Z21 NAI 1.39665
16 1WG8 SAM 1.40351
17 5BRT FAD 1.41844
18 5VN0 FAD 1.41844
19 5BRT CH9 1.41844
20 3NJ4 NAD 1.41844
21 3NJ4 AFX 1.41844
22 5VN0 NAI 1.41844
23 1QMG APX 1.41844
24 3NDJ SAH 1.44231
25 3NDJ JHZ 1.44231
26 1LLU NAD 1.46199
27 1UDB UFG 1.47929
28 1UDB NAD 1.47929
29 1FWV SGA MAG FUC 1.49254
30 3VSE SAH 1.50754
31 6BQ6 TER 1.51057
32 4AG5 ADP 1.53061
33 5IKB KAI 1.55642
34 1YXM ADE 1.65016
35 2A8X FAD 1.65485
36 4JDR FAD 1.65485
37 4Z24 FAD 1.65485
38 2FR1 NDP 1.65485
39 4XQC NAD 1.65485
40 1R6B ADP 1.65485
41 5MQ6 NDP 1.65485
42 5FWA J7C 1.65485
43 4XQC 13D 1.65485
44 3HWW AKG 1.65485
45 1SAY PYR 1.66205
46 4X9M FAD 1.67464
47 5BVA FAD 1.71149
48 1X7D NAD 1.71429
49 1NVM NAD 1.73913
50 2B4R NAD 1.73913
51 2B4R AES 1.73913
52 2GSD NAD 1.74129
53 6FHO FAD 1.75439
54 1R6D NAD 1.78042
55 1R6D DAU 1.78042
56 4DMG SAM 1.78117
57 4GKV