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Receptor
PDB id Resolution Class Description Source Keywords
4JLT 2.14 Å EC: 1.14.14.1 CRYSTAL STRUCTURE OF P450 2B4(H226Y) IN COMPLEX WITH PAROXET ORYCTOLAGUS CUNICULUS P450 CYTOCHROME P450 2B4 MONOOXYGENASE OXIDOREDUCTASE MECYP 2B4
Ref.: A STRUCTURAL SNAPSHOT OF CYP2B4 IN COMPLEX WITH PAR PROVIDES INSIGHTS INTO LIGAND BINDING AND CLUSTERS CONFORMATIONAL STATES. J.PHARMACOL.EXP.THER. V. 346 113 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:512;
A:511;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
GOL A:510;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CM5 A:504;
A:502;
A:503;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
494.573 C23 H42 O11 C1CCC...
HEM A:501;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
8PR A:505;
Valid;
none;
Kd = 0.7 uM
329.365 C19 H20 F N O3 c1cc(...
SO4 A:507;
A:506;
A:509;
A:508;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3G5N 2.5 Å EC: 1.14.14.1 TRIPLE LIGAND OCCUPANCY CRYSTAL STRUCTURE OF CYTOCHROME P450 COMPLEX WITH THE INHIBITOR 1-BIPHENYL-4-METHYL-1H-IMIDAZOLE ORYCTOLAGUS CUNICULUS P450 CYTOCHROME P450 2B4 MONOOXYGENASE OXIDOREDUCTASE MEPROTEIN CYP 2B4 CYP LM2 ENDOPLASMIC RETICULUM HEME IROMEMBRANE METAL-BINDING MICROSOME PHOSPHOPROTEIN POLYMOR
Ref.: CRYSTAL STRUCTURES OF CYTOCHROME P450 2B4 IN COMPLE THE INHIBITOR 1-BIPHENYL-4-METHYL-1H-IMIDAZOLE: LIGAND-INDUCED STRUCTURAL RESPONSE THROUGH ALPHA-HE REPOSITIONING. BIOCHEMISTRY V. 48 4762 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
2 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
3 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
4 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
5 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
6 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
30 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
31 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
32 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
33 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
34 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
35 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
36 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
37 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
38 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
39 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
40 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
41 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
42 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3T3R Ki = 101 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
2 2FDY - D4G C10 H8 N2 S2 c1cnccc1SS....
3 2FDV Ki = 800 nM D2G C11 H12 N2 O CNCc1ccc(o....
4 4EJH Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
5 3EBS Kd = 21 uM N4E C10 H13 N O2 CCOc1ccc(c....
6 1Z10 Kd = 0.27 uM COU C9 H6 O2 c1ccc2c(c1....
7 4EJI Kd = 4.4 uM 0QA C10 H13 N3 O2 CN(CCCC(=O....
8 2FDU Ki = 14200 nM D1G C12 H14 N2 O CN(C)Cc1cc....
9 2FDW Ki = 130 nM D3G C10 H10 N2 O c1cc(cnc1)....
10 2P85 - IND C8 H7 N c1ccc2c(c1....
11 1Z11 Kd = 1.9 uM 8MO C12 H8 O4 COc1c2c(cc....
12 4EJJ Kd = 470 uM NCT C10 H14 N2 C[N@@]1CCC....
13 4EJG - NCT C10 H14 N2 C[N@@]1CCC....
14 3T3Q Ki = 49 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
15 5E58 Kd = 2.3 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
16 1NR6 Kd ~ 50 uM DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
17 1N6B Kd = 20 uM DMZ C17 H17 N3 O2 S Cc1ccc(cc1....
18 4RRT Kd = 1.82 uM 3V4 C10 H16 CC1=CC[C@H....
19 4ZV8 - TMH C10 H16 CC1=CC[C@@....
20 5UEC - 85D C10 H15 Br CC1([C@@H]....
21 3IBD - CPZ C9 H7 Cl N2 c1cc(ccc1c....
22 5UAP - 82S C10 H17 Br C[C@@]12CC....
23 4RQL Kd = 0.08 uM SNE C10 H16 CC(C)[C@@]....
24 4I91 Kd = 0.22 uM TMH C10 H16 CC1=CC[C@@....
25 5UFG - 85D C10 H15 Br CC1([C@@H]....
26 3QOA Kd = 0.21 uM 3QO C12 H11 N c1ccc(cc1)....
27 5UDA - CAE C10 H18 CC1(C2CCC1....
28 2NNJ Ki = 90 nM 225 C18 H19 Cl2 N O4 CCOC(=O)C1....
29 4XRZ ic50 = 0.37 uM SI6 C16 H16 F2 N4 O S c1cc(c(cc1....
30 4WNU - QDN C20 H24 N2 O2 COc1ccc2c(....
31 4WNV - QI9 C20 H24 N2 O2 COc1ccc2c(....
32 4XRY ic50 = 13.9 uM SI5 C17 H18 F2 N4 O S Cn1cc(cn1)....
33 3G5N ic50 = 0.035 uM PB2 C16 H14 N2 c1ccc(cc1)....
34 3TMZ ic50 = 2 uM 06X C20 H25 Cl N2 O5 CCOC(=O)C1....
35 2BDM ic50 = 0.9 uM TMI C22 H18 N2 c1ccc(cc1)....
36 4JLT Kd = 0.7 uM 8PR C19 H20 F N O3 c1cc(ccc1[....
37 4MGJ - CPZ C9 H7 Cl N2 c1cc(ccc1c....
38 1SUO ic50 = 0.04 uM CPZ C9 H7 Cl N2 c1cc(ccc1c....
39 5W0C - 9W6 C15 H12 N4 O4 S2 CCOC(=O)NC....
40 4NZ2 Kd = 2 uM 2QJ C16 H12 Br Cl F3 N O4 S C[C@@](C(=....
41 5X24 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
42 5X23 - LSN C22 H23 Cl N6 O CCCCc1nc(c....
43 1R9O - FLP C15 H13 F O2 C[C@@H](c1....
44 5XXI - LSN C22 H23 Cl N6 O CCCCc1nc(c....
45 5K7K ic50 = 36 nM 6RJ C19 H12 Cl N5 O3 S2 c1cc(c(cc1....
46 3T3Z Ki = 765 uM 9PL C11 H16 N2 O2 CC[C@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8PR; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 8PR 1 1
2 29X 0.571429 0.766667
3 SIX 0.528302 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 80
This union binding pocket(no: 1) in the query (biounit: 3g5n.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL None
3 1ZED PNP 1.2605
4 4KVL PLM 1.47059
5 3W5N RAM 1.47059
6 6DIO CIT 1.6317
7 5OSW AE4 1.68067
8 4UCF GLA 1.89076
9 5L2R MLA 1.89076
10 1J78 OLA 1.96507
11 2CFC KPC 2.4
12 4G86 BNT 2.46479
13 4U8P UDP 2.52101
14 3B6C SDN 2.5641
15 2AWN ADP 2.62467
16 4EIL FOL 2.73109
17 1H9G COA MYR 2.88066
18 4E03 ADP 2.91262
19 2BHW XAT 3.01724
20 2BHW NEX 3.01724
21 2QK4 ATP 3.09735
22 2D2F ADP 3.2
23 6A20 ADP 3.20366
24 6BMS POV 3.22581
25 1TV5 N8E 3.386
26 5URY PAM 3.42466
27 2VVG ADP 3.42857
28 1T5C ADP 3.4384
29 1Q19 SSC 3.57143
30 2O1V ADP 3.78151
31 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 4.28016
32 5N8V KZZ 4.34783
33 2BCG GER 4.36893
34 2WPX ACO 4.71976
35 2WPW ACO 4.71976
36 1R6N 434 4.73934
37 2OKL BB2 4.86486
38 3O01 DXC 4.87013
39 3KPE TM3 5.12821
40 6BR8 6OU 5.15873
41 3IA4 MTX 5.55556
42 1GOJ ADP 5.6338
43 4M1U A2G MBG 5.72391
44 4I67 G G G RPC 5.74713
45 2Y65 ADP 5.75342
46 2WOR 2AN 6
47 3A06 FOM 6.51261
48 2NPA MMB 6.66667
49 1BG2 ADP 6.76923
50 2Z9I GLY ALA THR VAL 6.79012
51 5OCA 9QZ 7.14286
52 3SP6 IL2 7.36842
53 5FIT AP2 7.48299
54 3ZXE PGZ 7.5188
55 4NTO 1PW 7.72947
56 1XVB 3BR 8.23529
57 1NU4 MLA 8.24742
58 1XPJ TLA 8.73016
59 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 9.18033
60 1W6P NDG GAL 9.70149
61 3LRE ADP 10.084
62 1HBK MYR 10.1124
63 5LWY OLB 10.2804
64 1BHX ASP PHE GLU GLU ILE 10.4762
65 3RV5 DXC 11.236
66 5XJ7 87O 11.9403
67 2PRG BRL 12.5
68 3EYK EYK 13.3721
69 3B9Q MLI 14.5695
70 3WUR O4B 14.6199
71 5G48 1FL 14.7059
72 3IX9 MTX 14.7368
73 5XH2 NPO 15.2672
74 3ZIA ADP 16.3934
75 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 17.1548
76 4CQK PIO 19.1489
77 4OGQ 7PH 19.3548
78 5ZCO CHD 27.5229
79 6D61 4AA 28.2051
80 2Y69 CHD 33.75
Pocket No.: 2; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 3g5n.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z3Y F2N 1.68067
2 2NXW TPP 1.89076
3 1OZH HE3 1.89076
4 5G3U FDA 2.36407
5 5BVE 4VG 2.77008
6 4RJK TDL 3.36134
7 4RJK TPP 3.36134
8 5WKC TP9 3.36134
9 5WKC AUJ 3.36134
10 1A99 PUT 4.36047
11 5TG5 JW8 4.4898
12 5GUD NDP 4.88323
13 5GUD 2IT 4.88323
14 4EXO PYR 5.47945
15 3TTM PUT 5.49133
16 5A7V MAN 6.18557
17 4ZCC FAD 11.6071
18 4ZCC NAI 11.6071
19 5GVR LMR 15.3846
20 4WG0 CHD 33.3333
Pocket No.: 3; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 3g5n.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 4RYV ZEA None
2 4K37 SAM 1.08108
3 1DL2 NAG NAG BMA 1.89076
4 2Y9G LAT 2
5 2Y9G LBT 2
6 2F2U M77 2.23881
7 3V8S 0HD 2.68293
8 6FXR AKG 2.73109
9 4D1J DGJ 3.57143
10 1ZM1 BGC BGC BGC 3.73444
11 5XQW 8EU 3.79147
12 4CSD MFU 4.04412
13 2ET1 GLV 4.47761
14 3A16 PXO 4.55764
15 1SQI 869 5.34351
16 1ZZ7 S0H 5.55556
17 1U0A BGC BGC BGC BGC 5.60748
18 4B1L FRU 6.06061
19 5FU3 BGC BGC BGC 6.60377
20 4XCB AKG 6.89655
21 4XJ7 ADE 7.11611
22 4DC2 ADE 10.7143
23 5AIG VPR 11.2
24 4H69 10Y 13.9175
25 1R1Q ACE ARG GLU PTR VAL ASN VAL 14
26 5KK4 44E 20.8333
27 5Z84 CHD 27.5229
28 3B99 U51 42.2269
Pocket No.: 4; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 65
This union binding pocket(no: 4) in the query (biounit: 3g5n.bio1) has 70 residues
No: Leader PDB Ligand Sequence Similarity
1 6FHQ DE5 None
2 5LOF 70R 1.2605
3 5ZYN FMN 1.4862
4 5AZC PGT 1.66667
5 1E4I NFG 2.01342
6 4IA6 EIC 2.31092
7 4D06 NAR 2.4735
8 2GWH PCI 2.68456
9 6CB2 OLC 2.73038
10 2GMH UQ5 2.73109
11 1Q7E MET 2.80374
12 2YJD YJD 2.91667
13 4MGA 27L 3.13725
14 4MG9 27K 3.13725
15 4MG7 27H 3.13725
16 1ON3 DXX 3.15126
17 5N5U 7N8 3.15126
18 2BJ4 OHT 3.1746
19 4TV1 36M 3.18725
20 5TVI MYR 3.26087
21 5K53 STE 3.43511
22 1GEG GLC 3.51562
23 3TDC 0EU 3.57143
24 6BR9 PGV 3.62117
25 6BR9 6OU 3.62117
26 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.7415
27 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.91304
28 4XB4 45D 3.94737
29 3KO0 TFP 3.9604
30 2HHP FLC 3.9916
31 3X01 AMP 4.07125
32 5UC4 83S 4.09091
33 4ZGM 32M 4.09836
34 4OAR 2S0 4.26357
35 3FAL REA 4.51128
36 4UCC ZKW 4.72103
37 5M37 9SZ 4.78261
38 5M36 9SZ 4.80349
39 6BR8 PGV 5.15873
40 4IBF 1D5 5.42636
41 6C1R EFD 5.45024
42 5UGW GSH 5.71429
43 5LX9 OLB 5.86319
44 1DKF BMS 5.95745
45 1NF8 BOG 6.28019
46 5CHR 4NC 6.56934
47 4HBM 0Y7 6.66667
48 1T0S BML 6.97674
49 1RV1 IMZ 7.05882
50 5C1M OLC 7.09459
51 4P7U 1PS 7.14286
52 1K7L 544 7.29167
53 4EKQ NPO 8.02139
54 5W7B MYR 8.05687
55 4OAS 2SW 8.33333
56 3AQT RCO 8.57143
57 4RW3 SHV 9.60265
58 5V4R MGT 16.0494
59 4OGQ 1O2 19.3548
60 4OGQ SQD 19.3548
61 4OGQ 2WM 19.3548
62 2DYS PGV 27.5229
63 2DYR PGV 27.5229
64 5Z84 PGV 27.5229
65 1M2Z BOG 28.5714
Pocket No.: 5; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 61
This union binding pocket(no: 5) in the query (biounit: 3g5n.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3EW2 BTN None
2 5XWV 8H6 1.47059
3 5XWV NDP 1.47059
4 4ONA UW1 1.89076
5 4QO5 NAG 1.89076
6 2YPO PHE 2.1645
7 2XVD AS6 2.31788
8 5UWA 8ND 2.46305
9 6B74 BEN 2.46914
10 4WAS NAP 2.47253
11 2XK9 XK9 2.48447
12 1OFU GDP 2.52101
13 4CQM NAP 2.68199
14 6CI9 NAP 2.7027
15 3AYI FAD 2.73109
16 3ORK AGS 2.89389
17 5DRB 5FJ 3.09278
18 1Z0N BCD 3.125
19 4YEE 4CQ 3.33333
20 1QPB TPP 3.36134
21 2WSB NAD 3.54331
22 4URX FK1 3.78378
23 1G2N EPH 3.78788
24 4XT8 NAP 3.87597
25 2VG1 FPP 3.94737
26 2QCX PF1 4.18251
27 3EBL GA4 4.41176
28 4DPL NAP 4.45682
29 4OOE FOM 4.70297
30 4OOE NDP 4.70297
31 3LDW ZOL 4.79798
32 1XPK HMG 4.89691
33 3WQQ IB3 5.2521
34 3WQQ NDP 5.2521
35 2YLD CMO 5.51181
36 1XTT U5P 5.55556
37 4X6F 3XU 5.69395
38 3GGO ENO 5.73248
39 3GGO NAI 5.73248
40 3HSS MLA 5.80205
41 5T67 SAH 6.25
42 5CSD ACD 6.28931
43 3BAZ NAP 6.30631
44 3KDU NKS 6.4982
45 2BP1 FLC 6.94444
46 5NM7 GLY 7.5188
47 2R40 EPH 7.5188
48 5FBN 5WF 7.74908
49 2ZMF CMP 7.93651
50 3IQE H4M 8.12721
51 4U82 FPS 8.20312
52 3NUG NAD 8.50202
53 2R75 01G 8.87574
54 3RI1 3RH 8.94569
55 1YKD CMP 9.04523
56 3RYC GTP 9.79021
57 2HIM ASN 10.6145
58 5HZ5 65X 11.194
59 5UKL SIX 14.5161
60 6F8A HIS 19
61 4OGQ UMQ 19.3548
Pocket No.: 6; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 31
This union binding pocket(no: 6) in the query (biounit: 3g5n.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1RTW MP5 0.909091
2 5WBF LAC 1.48148
3 4P8K 38C 1.89076
4 4P8K FAD 1.89076
5 5K4W THR 2.18069
6 5G3U ITW 2.36407
7 4WAS COO 2.47253
8 1RM6 PCD 2.48447
9 4UP4 GAL NAG 2.49377
10 4UP4 NDG 2.49377
11 5FPN KYD 2.52101
12 4AZW ATP 2.54777
13 3VRY B43 2.64317
14 4X8D AVI 2.90828
15 4E5N NAD 3.33333
16 3ZV6 4HB 3.55872
17 3ZV6 NAD 3.55872
18 4XT8 TMQ 3.87597
19 2HZL PYR 4.38356
20 3PVT 3HC 4.50161
21 1XPM HMG 4.79798
22 6CS9 PIO 4.87805
23 2UW1 GVM 5.91716
24 5FQK 6NT 5.94796
25 5C9P FUC 6.29921
26 4Z28 BTN 6.71642
27 3IQE F42 8.12721
28 6HDT BTN 9.02256
29 5ECP ATP 9.86547
30 2CSN CKI 12.1212
31 1ZDT PEF 41.6667
Pocket No.: 7; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 26
This union binding pocket(no: 7) in the query (biounit: 3g5n.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3O0Q TTP 1.68067
2 3PFD FDA 1.78117
3 4CCO OGA 2.35546
4 4Y3O OGA 2.36052
5 1QMG APX 2.52101
6 1YRE COA 2.53807
7 5XK9 GST 2.58621
8 5XK9 DMA 2.58621
9 2YW2 ATP 2.59434
10 3CQ5 PMP 2.71003
11 1GEX PLP HSA 3.08989
12 2GVJ DGB 3.15126
13 6FK3 PPI 3.35821
14 1PL6 572 3.65169
15 4NBT NAD 4.16667
16 3H86 AP5 4.16667
17 2IMP LAC 4.41176
18 1V9A SAH 4.83193
19 2WKV COA 4.84694
20 1M5B BN1 4.94297
21 4D42 NAP 4.96454
22 4D42 W0I 4.96454
23 3QFS FAD 5.2521
24 3QFS NAP 5.2521
25 1QSM ACO 5.26316
26 4QC6 30N 21.229
Pocket No.: 8; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 5
This union binding pocket(no: 8) in the query (biounit: 3g5n.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2II3 CAO 3.05344
2 1GDE GLU PLP 4.62725
3 4HVA 4HV 4.90566
4 5USZ SKE 10.3806
5 2PYY GLU 12.7193
Pocket No.: 9; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3g5n.bio1) has 48 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 24
This union binding pocket(no: 10) in the query (biounit: 3g5n.bio1) has 71 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 1I0B PEL 1.20482
3 4ZU3 4SD 2.20264
4 5UC1 486 2.7027
5 1M7G AV2 2.8436
6 1FX8 BOG 2.84698
7 3RS8 ALA TRP LEU PHE GLU ALA 3.18725
8 1P7T PYR 3.36134
9 4LH7 NMN 3.71517
10 1YYE 196 3.73134
11 1WDK N8E 4.10256
12 4DE3 DN8 4.18251
13 3ZLR X0B 4.43038
14 3ET3 ET1 4.45205
15 3KP6 SAL 4.63576
16 5TWO 7MV 4.77941
17 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 5.32787
18 3ET1 ET1 6.18557
19 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 6.62252
20 4V1F BQ1 9.30233
21 4XPL ACO 10.4294
22 4LWU 20U 16.4706
23 1DTL BEP 18.6335
24 3FEI CTM 46.1538
Pocket No.: 11; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 23
This union binding pocket(no: 11) in the query (biounit: 3g5n.bio1) has 73 residues
No: Leader PDB Ligand Sequence Similarity
1 2IGA XXP 2.19178
2 5T96 79J 2.33918
3 1SGJ OAA 2.46479
4 6A0S NDP 2.71084
5 1ZPD CIT 2.94118
6 5E5U MLI 3.01508
7 4MG8 27J 3.13725
8 3NJQ NJQ 3.62694
9 1A8S PPI 4.0293
10 5I8F ML1 4.24242
11 5W0N UPU 4.71464
12 4K7O EKZ 4.7619
13 2WSI FAD 5.88235
14 5ZBL AMP 5.91133
15 3ZO7 K6H 6.38298
16 1NOW IFG 6.72269
17 2QEH SRO 10.3448
18 3F8C HT1 11.1111
19 6GD6 EVB 11.1111
20 4MTI 2DX 11.3043
21 5NNT DPV 24.3243
22 5ZCO PGV 27.5229
23 5W97 CHD 27.5229
Pocket No.: 12; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 8
This union binding pocket(no: 12) in the query (biounit: 3g5n.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z7B VNL 2.52525
2 5BUK FAD 3.11111
3 1RSG FAD 3.78151
4 3TVQ DQH 4.73373
5 3VVY ET 5.15464
6 5H4S RAM 5.98592
7 4Z87 GDP 6.72269
8 3JQM GTP 7.64331
Pocket No.: 13; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 76
This union binding pocket(no: 13) in the query (biounit: 3g5n.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1O9J NAD 1.05042
2 3EYA TDP 1.47059
3 6HOY AR6 1.65563
4 6HOY TSN 1.65563
5 3ICT FAD 1.89076
6 3RHJ NAP 1.89076
7 3GGF GVD 1.99336
8 5JCM NAD 1.99557
9 5JCM FAD 1.99557
10 1IIM TTP 2.05479
11 4PZ2 NAD 2.10084
12 1KEV NDP 2.2792
13 2V6K TGG 2.33645
14 6GCB GSH 2.46154
15 4BUY F37 2.5
16 4U8P FDA 2.52101
17 1DMH LIO 2.57235
18 1KHT AMP 2.60417
19 3UDG TMP 2.65781
20 3AYI HCI 2.73109
21 3CH6 NAP 2.7972
22 3CH6 311 2.7972
23 4RRG A3T 2.83688
24 2F1K NAP 2.86738
25 5CGE 51F 2.88809
26 4BAE RWX 2.92683
27 4PXL NAD 2.94118
28 4B6C B5U 3.06122
29 2CNT COA 3.125
30 5IH9 6BF 3.28358
31 3IAA TYD 3.36538
32 3RSC TYD 3.37349
33 1C3V NDP 3.67347
34 4QA8 PJZ 3.93013
35 3TTZ 07N 4.0404
36 3A4V PYR 4.10095
37 3A4V NAD 4.10095
38 1H0H 2MD 4.20561
39 4MAF ADX 4.20792
40 2ORV 4TA 4.2735
41 4P8O 883 4.27807
42 2GCG NDP 4.54545
43 2GN4 UD1 4.94186
44 1N62 FAD 5.04202
45 6EQS BV8 5.09091
46 5B47 TPP 5.26316
47 5B47 PYR 5.26316
48 6AA8 NAD 5.62914
49 1W4R TTP 5.64103
50 4L2I FAD 5.70342
51 1XKD ICT 5.74713
52 1BYG STU 5.7554
53 2JDU MFU 6.08696
54 3O84 HTJ 6.09244
55 4DSG FAD 6.09244
56 4DSG UDP 6.09244
57 5NWD 9C8 6.12245
58 4EWH T77 7.63636
59 2FZW NAD 7.7748
60 1M5W DXP 7.81893
61 1OS7 AKG 8.12721
62 1OS7 TAU 8.12721
63 5ZZ6 NAD 8.17308
64 4L9Z COA 8.25959
65 2PZ8 APC 8.4507
66 1H5T TYD 8.53242
67 2AMT 1AA 9.43396
68 5ECP MET 9.86547
69 5ECP JAA 9.86547
70 4ZUL UN1 10.5042
71 4BQS K2Q 12.5
72 4BJ8 BTN 14.2857
73 4POO SAM 17
74 1Q5D EPB 18.8544
75 6GK6 MYR 22.871
76 3E5A VX6 27.2727
Pocket No.: 14; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3g5n.bio4) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 13
This union binding pocket(no: 15) in the query (biounit: 3g5n.bio4) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2BJU IH4 2.20751
2 5OOH NAP 2.91262
3 5OOH 9ZZ 2.91262
4 3ZNN 4WL 3.9916
5 3ZNN FAD 3.9916
6 1J0D 5PA 4.10557
7 5KOK SAH 4.53401
8 3G6K POP 5.51948
9 3G6K FAD 5.51948
10 5TFZ 7BC 8
11 5CFQ 1SY 9.62567
12 4LA7 A1O 11.399
13 2PK3 GDD 14.3302
Pocket No.: 16; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3g5n.bio5) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 5
This union binding pocket(no: 17) in the query (biounit: 3g5n.bio5) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4U7W NDP 2.85714
2 4MMP SLB 4.22078
3 4XCB HY0 6.89655
4 4WW8 VD9 7.22433
5 1RDT L79 30.4348
Pocket No.: 18; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 25
This union binding pocket(no: 18) in the query (biounit: 3g5n.bio5) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4DXD 9PC 1.76768
2 5K4W NAI 2.18069
3 3JZ4 NAP 2.31092
4 1MDB AMP DBH 2.52101
5 2VZ6 FEF 2.55591
6 4QOM PYG 2.73109
7 1KZN CBN 2.92683
8 5UY8 AMZ 2.94118
9 5FP3 3JI 3.15126
10 1P7L MET 3.65535
11 3BXD INS 3.80623
12 5VFC 9BA 3.85852
13 3IES M24 3.9916
14 1WDK NAD 4.10256
15 4URL XAM 4.18719
16 3TAY MN0 4.29448
17 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 4.77612
18 4YSX FAD 4.78723
19 4MFZ MFK 5.04202
20 1OFD AKG 5.04202
21 6DXL HG4 5.75916
22 3PP0 03Q 5.91716
23 2D4V FLC 6.06061
24 3QJ4 FAD 6.14035
25 4NJS G08 14.1414
Pocket No.: 19; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 34
This union binding pocket(no: 19) in the query (biounit: 3g5n.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5ABF XRJ 1.89076
2 1ORR NAD 2.01729
3 3HAZ FAD 2.10084
4 5AVF TAU 2.10084
5 2QFY AKG 2.34192
6 3QUR ADP 2.44755
7 3QUR FM4 2.44755
8 5NUE NAD 2.71084
9 4I5I NAD 2.78746
10 4KXQ APR 2.84698
11 4MFL MFK 2.89855
12 3EFV NAD 3.24675
13 4AT3 LTI 3.34448
14 5WXU IAC 3.57143
15 4O0L NDP 3.63636
16 4B74 1LH 3.78151
17 2C42 TPP 3.78151
18 2C42 PYR 3.78151
19 2ISJ FMN 3.91304
20 4YZN 4K5 4.18118
21 4JAL SAH 4.79042
22 1YKJ PHB 5.32995
23 5OCM 9RH 5.84192
24 1FL2 FAD 6.12903
25 4V03 ADP 6.61479
26 1CFV E3G 7.07965
27 5AHW CMP 7.48299
28 4NDN SAM 7.59494
29 1UVC STE 7.69231
30 3OF1 CMP 8.94309
31 1KYZ SAH 11.7808
32 1RV0 NDG 11.875
33 3TDH AMP 12.2905
34 3PNA CMP 22.7273
Pocket No.: 20; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 19
This union binding pocket(no: 20) in the query (biounit: 3g5n.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3EPO MP5 1.68067
2 4OIC A8S 2.41546
3 1NVM NAD 2.73109
4 4M3P HCS 3.94089
5 4N49 SAM 3.97196
6 1CT9 AMP 4.20168
7 5WYF ILP 4.329
8 1MDC PLM 4.54545
9 4WUP 3UF 4.61538
10 5BRE 4UZ 5.24934
11 4DS8 A8S 5.26316
12 5MZI FAD 6.50759
13 5MZI FYK 6.50759
14 3BEO UD1 7.46667
15 3KDJ A8S 8.5443
16 5MOB A8S 8.62069
17 4CRL C1I 8.86699
18 6G9I CXX 11.3095
19 3JRS A8S 14.4231
Pocket No.: 21; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 3g5n.bio3) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 162
This union binding pocket(no: 22) in the query (biounit: 3g5n.bio3) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3COB ADP 1.08401
2 4O67 1SY 1.37741
3 3X0D SAH 1.47059
4 4PFT MAB 1.47059
5 5NN0 92H 1.68067
6 1IN4 ADP 1.79641
7 1JBW ACQ 1.86916
8 4S3R 7SA 1.89076
9 2CE7 ADP 1.89076
10 4D86 ADP 1.92771
11 1H74 ADP 2.02703
12 2CWH NDP 2.04082
13 2CWH PYC 2.04082
14 2P8O BVA 2.06186
15 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 2.10084
16 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 2.10084
17 2WHX ADP 2.10084
18 2ZEJ GDP 2.17391
19 3C3N FMN 2.24359
20 2QZ4 ADP 2.29008
21 1G0H IPD 2.38095
22 4PX9 ADP 2.39726
23 2C9O ADP 2.41228
24 5ZGI SIN 2.47934
25 3FYH ADP 2.48447
26 4AG5 ADP 2.55102
27 2BIF SIN 2.55864
28 3NHB ADP 2.61438
29 1DAK ADP 2.67857
30 1DAK DPU 2.67857
31 3WDM ADN 2.68199
32 1JJ7 ADP 2.69231
33 3QVV A3P 2.71186
34 1AKY AP5 2.72727
35 1KY3 GDP 2.74725
36 2DTJ THR 2.80899
37 1FNN ADP 2.82776
38 3AB4 THR 2.85036
39 2GJ8 ALF GDP 2.90698
40 4YDQ ANP 2.94118
41 1IXE COA 2.94118
42 5GS9 ARG 2.96736
43 2DT9 THR 2.99401
44 5WYZ 7VF 3.15126
45 3RS8 APR 3.18725
46 5OFI 9TQ 3.27869
47 2V2V V12 3.32103
48 5XC5 GTP 3.40909
49 4FJU NAI 3.4188
50 1G6H ADP 3.50195
51 2CHG ANP 3.53982
52 1XKV ATP 3.57143
53 2IS6 ADP 3.57143
54 4NBU CAA 3.6
55 5O1I 9GH 3.65297
56 5ZBR ANP 3.73333
57 4LYA ATP 3.78151
58 4BHN BH9 3.78151
59 5IFS ADP 3.79747
60 5HCN GCP 3.83142
61 4JSR 1NQ 3.85965
62 2RCN GDP 3.91061
63 1OXV ANP 3.96601
64 3N7O N7O 3.9823
65 5ZXD ATP 3.9916
66 4Q9N 0WE 4.02685
67 4R98 GNH 4.20168
68 2WJH GDP 4.21687
69 4U9U FAD 4.27046
70 1EB1 ZAL PRO MMO 4.28016
71 4AX9 N5N 4.28016
72 2ANM CDO 4.28016
73 2Q2Y ADP 4.35967
74 2Q2Y MKR 4.35967
75 4ZY1 4U5 4.41176
76 5TSH ADP 4.41176
77 5TSH ANP 4.41176
78 4HSE ADP 4.53401
79 4D81 ADP 4.59364
80 5XFV FMN 4.62185
81 1R6B ADP 4.62185
82 1KA1 A3P 4.7619
83 5WS9 AMP 4.84211
84 3QKT ANP 5.01475
85 2ZX2 RAM 5.12821
86 4TL6 ANP 5.13834
87 1Z0A GDP 5.17241
88 4QRH 0O2 5.2381
89 4LPS GDP 5.3719
90 1V35 NAI 5.47112
91 2X06 NAD 5.52326
92 1AJ8 COA 5.66038
93 3IID APR 5.6872
94 1IAU ACE ILE GLU PRO ASJ 5.72687
95 3MJY FMN 5.78035
96 3MJY IJZ 5.78035
97 5FFF NAP 5.83658
98 5Y6N ADP 5.93607
99 4GO7 THR 6
100 5IRN ADP 6.09244
101 3B5J 12D 6.17284
102 1S3G AP5 6.45161
103 1ZIN AP5 6.51261
104 3A06 NDP 6.51261
105 4CVN ADP 6.56934
106 4WZH FMN 6.62824
107 3OIX FMN 6.66667
108 2WYA HMG 6.73913
109 1YRB GDP 6.87023
110 5EXT ADP 6.92308
111 3KTA AP5 6.93642
112 1XEX ATP 6.97674
113 4C3Y ANB 7.14286
114 5WC2 ADP 7.17593
115 3GJ8 GDP 7.23982
116 3GJ5 GDP 7.23982
117 3CH5 GDP 7.40741
118 5EP2 AZU 7.42188
119 1LBZ FBP 7.53968
120 5UWS GNP 7.56302
121 5UWP GNP 7.56302
122 5DI9 GNP 7.56302
123 4HAT GNP 7.56302
124 3WYF GTP 7.56302
125 1RJ9 GCP 7.56579
126 5FAH 5VT 7.58929
127 4EN4 GT0 7.69231
128 4EN4 GT1 7.69231
129 4EN4 ATP 7.69231
130 1CSI CMX 7.81609
131 1CSI OAA 7.81609
132 5DJH AMP 7.98611
133 2RC5 FAD 8.28025
134 1UZ8 MAG FUC GAL 8.49057
135 3ZS7 ATP 8.66667
136 1WA5 GTP 9.09091
137 3GJ7 GDP 9.18367
138 2EFE GNH 9.39227
139 2A5J GDP 9.42408
140 4UTG ANP 9.82659
141 1RRC ADP 10.6312
142 3FB4 AP5 10.6481
143 3A4M ADP 10.7692
144 5Q0F 9FA 11.0656
145 5WB6 9ZM 11.0656
146 4YMU ATP 11.6667
147 3JQQ FAD 11.7089
148 3WYG GTP 11.8421
149 5H68 AGS 12.1849
150 4BQS ADP 12.5
151 1HTW ADP 13.2911
152 1ZUI SKM 14.2857
153 1T32 OHH 14.2857
154 3SFV GDP 14.3646
155 5O74 GDP 14.4444
156 3GJ4 GDP 15.1515
157 3BFV ADP 15.8672
158 5WL1 CUY 16.1616
159 5WL1 D3D 16.1616
160 5J1S ATP 16.2602
161 1Y63 ADP 17.3913
162 5G41 AP5 21.0762
Pocket No.: 23; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 3
This union binding pocket(no: 23) in the query (biounit: 3g5n.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 5SXS NIZ 3.57143
2 1VKF CIT 5.31915
3 3DOO SKM 5.77617
Pocket No.: 24; Query (leader) PDB : 3G5N; Ligand: PB2; Similar sites found with APoc: 7
This union binding pocket(no: 24) in the query (biounit: 3g5n.bio2) has 64 residues
No: Leader PDB Ligand Sequence Similarity
1 3W54 RNB 2.43161
2 5EE7 5MV 2.87611
3 2CIX CEJ 3.67893
4 4F4S EFO 3.94737
5 1NX0 ALA LYS ALA ILE ALA 5.20231
6 5EY0 GTP 7.66423
7 2VWA PTY 22.7723
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