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Receptor
PDB id Resolution Class Description Source Keywords
3PQB 2.32 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF PREGILVOCARCIN IN COMPLEX WITH GILR OXIDOREDUCTASE THAT CATALYZES THE TERMINAL STEP OF GILVOCARB IOSYNTHESIS STREPTOMYCES GRISEOFLAVUS OXIDOREDUCTASE FAD BINDING PROTEIN COVALENTLY BOUND FAD
Ref.: THE CRYSTAL STRUCTURE AND MECHANISM OF AN UNUSUAL OXIDOREDUCTASE, GILR, INVOLVED IN GILVOCARCIN V BIOSYNTHESIS. J.BIOL.CHEM. V. 286 23533 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:499;
B:499;
C:499;
D:499;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
VGP A:500;
B:500;
C:500;
D:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
496.506 C27 H28 O9 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PQB 2.32 Å EC: 1.-.-.- THE CRYSTAL STRUCTURE OF PREGILVOCARCIN IN COMPLEX WITH GILR OXIDOREDUCTASE THAT CATALYZES THE TERMINAL STEP OF GILVOCARB IOSYNTHESIS STREPTOMYCES GRISEOFLAVUS OXIDOREDUCTASE FAD BINDING PROTEIN COVALENTLY BOUND FAD
Ref.: THE CRYSTAL STRUCTURE AND MECHANISM OF AN UNUSUAL OXIDOREDUCTASE, GILR, INVOLVED IN GILVOCARCIN V BIOSYNTHESIS. J.BIOL.CHEM. V. 286 23533 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3PQB - VGP C27 H28 O9 C[C@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3PQB - VGP C27 H28 O9 C[C@H]([C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2Y3S - TIR C22 H29 N O6 C[C@H]1[C@....
2 2Y3R - TIR C22 H29 N O6 C[C@H]1[C@....
3 2Y4G - TIR C22 H29 N O6 C[C@H]1[C@....
4 5AWV - T55 GHP 3MY 3FG GHP GHP OMY 3FG N1L NAG MAN n/a n/a
5 2IPI - AKY C42 H53 N O15 CC[C@]1(C[....
6 3PQB - VGP C27 H28 O9 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: VGP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 VGP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PQB; Ligand: VGP; Similar sites found with APoc: 197
This union binding pocket(no: 1) in the query (biounit: 3pqb.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2IUW AKG 1.2605
2 1DY4 SNP 1.38249
3 3SZB I1E 1.49254
4 5MZI FYK 1.51844
5 5MZI FAD 1.51844
6 4N14 WR7 1.59236
7 2PCU ASP 1.63934
8 3KV5 OGA 1.84426
9 3PUR 2HG 1.99601
10 3N9Q OGA 1.99601
11 3N9P OGA 1.99601
12 3N9O OGA 1.99601
13 5X7Q GLC GLC GLC GLC GLC 1.99601
14 1TUU ADP 2.00501
15 4GN8 ASO 2.00669
16 1Y9Q MED 2.08333
17 1J3R 6PG 2.10526
18 4D06 NAR 2.12014
19 2FCU AKG 2.23642
20 4NS0 PIO 2.25564
21 5A3T MMK 2.2869
22 3HAV ATP 2.34114
23 4J7Q B7N 2.4024
24 4OPC FDA 2.42826
25 4OPC PGT 2.42826
26 5M4Q PRO 2.47934
27 1SDW IYT 2.54777
28 3PUA OGA 2.55102
29 5HCF BGC 2.58303
30 2A1L PCW 2.59259
31 2VOT NHV 2.59481
32 5GZK BGC BGC BGC 2.60304
33 5TPV TYD 2.61438
34 2ZHL NAG GAL GAL NAG 2.7027
35 2OVW CBI 2.79441
36 6F6D AKG 2.79441
37 2VPN 4CS 2.8481
38 4OMJ 2TX 2.8777
39 6GZD LCI 2.94118
40 3KYQ DPV 3.01508
41 6FOF LAT 3.06122
42 2AGC DAO 3.08642
43 4J36 1HR 3.13253
44 4J36 FAD 3.13253
45 1Y7P RIP 3.13901
46 3RGA LSB 3.18021
47 2GC0 PAN 3.19149
48 3NNF AKG 3.19361
49 1OFZ FUC 3.20513
50 4GQP B40 3.21285
51 4MP8 NAD 3.24484
52 4MP8 MLI 3.24484
53 3VHH VHH 3.25203
54 4YLZ LAT NAG GAL 3.26797
55 3MTX PGT 3.31126
56 1ULE GLA GAL NAG 3.33333
57 3OV6 MK0 3.39321
58 5BTX CMP 3.42466
59 4TQK NAG 3.44828
60 4RFR RHN 3.44828
61 2BWA GLC BGC 3.52423
62 4JH6 FCN 3.62319
63 4MLO PAM 3.62319
64 4IE6 UN9 3.63636
65 2D6M LBT 3.77358
66 3STK PLM 3.78788
67 3KV4 OGA 3.79242
68 1ZZ7 S0H 3.79242
69 5YSQ INS 3.79242
70 5H9P TD2 3.79747
71 3PFG SAM 3.80228
72 3PFG TLO 3.80228
73 5T7I LAT NAG GAL 3.87097
74 5LUN OGA 3.97727
75 1OJJ GLC GAL 3.99202
76 1OJK GLC BGC 3.99202
77 2BKL ZAH 3.99202
78 1C7S CBS 3.99202
79 2WA4 069 4.01146
80 4K55 H6P 4.03226
81 4ZU4 4TG 4.05405
82 3Q8G PEE 4.0625
83 5DRB 5FJ 4.12371
84 4BVA T3 4.1791
85 3WUC GLC GAL 4.37956
86 5DZ2 212 4.39122
87 5FPX GLY SER SER HIS HIS HIS HIS HIS 4.42478
88 3HX3 RET 4.43038
89 3EW2 BTN 4.44444
90 4RYV ZEA 4.51613
91 4N7C AEF 4.54545
92 1OS7 AKG 4.59364
93 4HSJ 6PC 4.5977
94 3OYW TDG 4.79042
95 5B09 4MX 4.80769
96 3E81 SLB 4.87805
97 4P25 FUC GAL NAG FUC 4.96689
98 3E8N VRA 4.99002
99 3E8N ATP 4.99002
100 4JGP PYR 5.06912
101 4MA6 28E 5.09554
102 1SLT NDG GAL 5.22388
103 5MB4 NAG 5.23691
104 2P7Q GG6 5.26316
105 4F4S EFO 5.26316
106 4JX1 CAH 5.30973
107 4JX1 CAM 5.30973
108 1P0Z FLC 5.34351
109 5E1M PRO PRO LYS ARG ILE ALA 5.39419
110 5E1M SAH 5.39419
111 2ET1 GLV 5.47264
112 3DAK ANP 5.51724
113 2E56 MYR 5.55556
114 2BS5 BGC GAL FUC 5.55556
115 5EZU MYR 5.61798
116 5NFB 8VT 5.68182
117 3BRN SRO 5.73248
118 3QRC SCR 5.73248
119 3WV6 GAL BGC 5.74324
120 3WV6 GAL GLC 5.74324
121 5NLD LBT 5.7554
122 5EO8 TFU 5.78778
123 5L2R MLA 5.78842
124 1ZB6 GST 5.86319
125 1ZB6 DIN 5.86319
126 5DG2 GAL GLC 5.92593
127 5TFZ 7BC 6
128 5KO1 6UY 6.00707
129 5ML3 DL3 6.04027
130 2R0H CTO 6.09756
131 3O2K DST 6.11814
132 3M3E GAL A2G NPO 6.21118
133 5IXH OTP 6.21118
134 1SWG BTN 6.25
135 3VQ2 LP4 LP5 MYR DAO 6.25
136 3E2M E2M 6.48649
137 3NX2 FER 6.54762
138 1GQG DCD 6.57143
139 3VV1 GAL FUC 6.875
140 3SAO NKN 6.875
141 5UWA 8ND 6.89655
142 5INJ 6C7 6.91358
143 4WVW SLT 6.94444
144 4J25 OGA 6.9869
145 5H9Q TD2 7.09677
146 4X8D AVI 7.18563
147 1OGZ EQU 7.2
148 1C1L GAL BGC 7.29927
149 1IS3 LAT 7.40741
150 5KEW 6SB 7.44681
151 6D61 4AA 7.69231
152 6BFH KAN 7.86517
153 5JSP DQY 7.9602
154 3ZGJ RMN 8.08625
155 3RE4 TO1 8.13953
156 3ZXE PGZ 8.27068
157 6HDT BTN 8.27068
158 1OGX EQU 8.39695
159 6AC9 ANP 8.64865
160 4JNJ BTN 8.69565
161 3T2W BTN 9.01639
162 5GLT BGC GAL NAG GAL 9.38124
163 4MNS 2AX 9.43396
164 5LXB 7A9 9.50413
165 3WG3 A2G GAL NAG FUC 9.55056
166 1A78 TDG 9.70149
167 2Z77 HE7 10.0719
168 6GNO XDI 10.3704
169 5AIG VPR 10.4
170 5DQ8 FLF 10.4167
171 1WW5 SGA BGC 10.625
172 1JGU HBC 11.8182
173 1IGJ DGX 11.8721
174 4G31 0WH 12.0401
175 6CED EYA 12.1495
176 2B4B B33 12.2807
177 3NV3 GAL NAG MAN 12.3188
178 5UPK ANP 12.5
179 5BVB DOG 12.8788
180 5OO5 UUA 12.9032
181 2YMZ LAT 13.0769
182 3G08 FEE 13.1313
183 5T46 MGP 13.6364
184 4OCT AKG 13.964
185 5C9J DAO 14.1414
186 4F7E 0SH 15.3061
187 4J8T DOG 16.7883
188 2OVD DAO 18.1319
189 2AXR ABL 18.1637
190 4Y24 TD2 18.1818
191 4GGZ BTN 21.7391
192 4BXF AKG 36.8421
193 3W8X FAD 36.9261
194 3W8X FTK 36.9261
195 5L6G XYP 38.523
196 4QXB OGA 40
197 3FW9 SLX 42.2222
Pocket No.: 2; Query (leader) PDB : 3PQB; Ligand: VGP; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 3pqb.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2PVF ACP 1.49701
2 2YNE NHW 1.5625
3 2YNE YNE 1.5625
4 4P42 PEE 1.68776
5 2G3F IZC 2.13777
6 4BPZ GLC BGC BGC 2.34375
7 4B2Z P5S 2.90179
8 3SCH TB6 3.79242
9 4D52 GXL 3.80952
10 4D52 GIV 3.80952
11 4H69 10Y 4.12371
12 5F3I 5UJ 5.27778
13 6I6R H62 5.38922
14 4RLT FSE 8.86076
15 1LEK GLU GLN TYR LYS PHE TYR SER VAL 13.1313
16 4CCN OGA 20
Pocket No.: 3; Query (leader) PDB : 3PQB; Ligand: VGP; Similar sites found with APoc: 13
This union binding pocket(no: 3) in the query (biounit: 3pqb.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2JLD AG1 2.38095
2 5OKT 9XK 2.54777
3 2O9R TCB 2.65487
4 5EW9 5VC 3.69004
5 4D4U FUC GAL NAG 3.80952
6 4URG C2E 6.58683
7 3K4Z CBI 10.0346
8 2QL9 CIT 10.4046
9 4QM9 CYS 10.4046
10 1IND EOT 12.8319
11 5V3D FCN 13.7931
12 6MPT C30 13.986
13 4Z28 BTN 25.3731
Pocket No.: 4; Query (leader) PDB : 3PQB; Ligand: VGP; Similar sites found with APoc: 25
This union binding pocket(no: 4) in the query (biounit: 3pqb.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1VA6 P2S 1.1976
2 1VA6 ADP 1.1976
3 4AZP A9M 1.44928
4 1T27 PCW 2.58303
5 2FB3 GTP 2.64706
6 5HSS 64Z 2.69542
7 2VHW NAI 3.44828
8 3PG7 PTY 3.51562
9 4OIT MAN 3.53982
10 4ORR PE3 3.68421
11 4IAW LIZ 4.25532
12 1TT8 PHB 4.26829
13 3OZ2 OZ2 5.03778
14 1NKI PPF 5.18518
15 3SRV S19 6.18762
16 3O9L LPN 6.25
17 2F01 BTN 6.29921
18 2F01 BTQ 6.29921
19 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 9.18367
20 4PSB GA3 9.67742
21 4EUU BX7 10.3448
22 2VFT SOR 11.976
23 1MEX RAC 12.2066
24 3QUZ QUV 13.1313
25 2AG4 OLA 14.0244
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