-->
Receptor
PDB id Resolution Class Description Source Keywords
5E58 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CYTOCHROME P450 2B35 FROM DESERT WOODRA LEPIDA IN COMPLEX WITH 4-(4-CHLOROPHENYL)IMIDAZOLE NEOTOMA LEPIDA CYTOCHROME P450; CYP2B35; NEOTOMA LEPIDA; WOODRAT OXIDOREDU
Ref.: STRUCTURE-FUNCTION ANALYSIS OF MAMMALIAN CYP2B ENZY 7-SUBSTITUTED COUMARIN DERIVATIVES AS PROBES: UTILI CRYSTAL STRUCTURES AND MOLECULAR MODELING IN UNDERS XENOBIOTIC METABOLISM. MOL.PHARMACOL. V. 89 435 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM E:501;
B:501;
A:501;
D:501;
F:501;
C:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
CPZ C:502;
A:502;
E:503;
E:502;
F:503;
A:503;
B:502;
C:503;
F:502;
B:503;
D:503;
D:502;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 2.3 uM
178.618 C9 H7 Cl N2 c1cc(...
SUC A:504;
Invalid;
none;
submit data
342.296 C12 H22 O11 C([C@...
GOL B:504;
E:505;
C:504;
A:506;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CM5 E:504;
A:505;
Invalid;
Invalid;
none;
none;
submit data
494.573 C23 H42 O11 C1CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E58 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CYTOCHROME P450 2B35 FROM DESERT WOODRA LEPIDA IN COMPLEX WITH 4-(4-CHLOROPHENYL)IMIDAZOLE NEOTOMA LEPIDA CYTOCHROME P450; CYP2B35; NEOTOMA LEPIDA; WOODRAT OXIDOREDU
Ref.: STRUCTURE-FUNCTION ANALYSIS OF MAMMALIAN CYP2B ENZY 7-SUBSTITUTED COUMARIN DERIVATIVES AS PROBES: UTILI CRYSTAL STRUCTURES AND MOLECULAR MODELING IN UNDERS XENOBIOTIC METABOLISM. MOL.PHARMACOL. V. 89 435 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5E58 Kd = 2.3 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: CPZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CPZ 1 1
2 PIM 0.526316 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 41
This union binding pocket(no: 1) in the query (biounit: 5e58.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4RZB NFQ 1.10375
2 3OJI PYV 1.5873
3 1E3I CXF 2.39362
4 1JS3 PLP 142 3.08642
5 6F70 GSH 3.1746
6 2Q2Y MKR 3.26975
7 2Q2Y ADP 3.26975
8 1AQU EST 3.367
9 2YPO PHE 3.44828
10 5K53 STE 3.81679
11 1IOW PHY 3.92157
12 4RC8 STE 4.05405
13 3NX2 FER 4.16667
14 1CS4 FOK 4.31472
15 1CS4 101 4.31472
16 4JD3 PLM 4.53258
17 4JD3 COA 4.53258
18 1MDC PLM 4.54545
19 3NYC IAR 4.72441
20 3NYC FAD 4.72441
21 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 4.80769
22 5KBF CMP 4.98339
23 1OW4 2AN 5.42636
24 1E8G FAD 5.67951
25 2B96 ANN 5.69106
26 4GFD 0YB 6.34146
27 1B4N GUA 7.09939
28 3RMK BML 7.22892
29 5X20 AOT 7.69231
30 2R40 20E 8.64662
31 4R38 RBF 9.28571
32 5GPG RAP 9.67742
33 4ZUL UN1 15.3996
34 4J6C STR 19.8783
35 4B7S QLE 20.4128
36 2DYR TGL 23.4043
37 2DYS TGL 23.4043
38 2DYR PGV 23.4043
39 2VE3 REA 40.0901
40 3MDV CL6 41.4474
41 4NKW PLO 47.4645
Pocket No.: 2; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 51
This union binding pocket(no: 2) in the query (biounit: 5e58.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6ECG PM9 1.75824
2 6APL C5P 2.13904
3 3HQP ATP 2.63692
4 3PPM JG1 3.0426
5 4IXH IMP 3.04709
6 4D8N 0HM 3.13901
7 2IMI GSH 3.16742
8 3RGA ILD 3.18021
9 2C9O ADP 3.28947
10 3G4G D71 3.32542
11 1GTE FAD 3.44828
12 2IBY COA 3.79747
13 3G58 988 3.93701
14 2VUT NAD 3.97727
15 5ECP JAA 4.03587
16 5ECP MET 4.03587
17 1G27 BB1 4.16667
18 3AHO 3A2 4.46247
19 2R5T ANP 4.82574
20 1B4P GPS 5.06912
21 2ZRU FMN 5.27383
22 2C6Q NDP 5.41311
23 2C6Q IMP 5.41311
24 6A46 DCM 5.46875
25 1EFV AMP 5.4902
26 1EFV FAD 5.4902
27 1BZL GCG 5.88235
28 3DR4 G4M 5.88235
29 1YS4 NAP 5.9322
30 4XVU ATP 5.99078
31 5XKT GNP 6
32 5W8Q BU4 6.15385
33 1FK8 NAD 6.22568
34 1PVN MZP 6.38298
35 4Z87 5GP 6.69371
36 4F7E 0SH 7.06714
37 3BXO UPP 7.11297
38 3B8X G4M 7.17949
39 3C1X CKK 7.23861
40 6CEP OXM 7.48503
41 5UFS 1TA 8.06452
42 2HF9 GSP 8.40708
43 4UTG ANP 8.95954
44 1IXE COA 11.1406
45 1CXZ GSP 11.6279
46 1MH1 GNP 12.3656
47 4BJ8 BTN 14.2857
48 4XTR ADP 16.2162
49 4XTR ATP 16.2162
50 5EYK 5U5 18.6441
51 1EB1 ZAL PRO MMO 33.3333
Pocket No.: 3; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 19
This union binding pocket(no: 3) in the query (biounit: 5e58.bio5) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2H7C COA 1.41988
2 5UY8 AMZ 1.66389
3 3EYA FAD 2.0284
4 3HQP OXL 2.63692
5 5X1M DHB 2.74262
6 5X1M THG 2.74262
7 3AB1 FAD 2.77778
8 2PEL LAT 2.9661
9 5YAK YOF 3.0426
10 2G50 PYR 3.24544
11 4E70 N7I 3.86598
12 1JNR FAD 4
13 1MJH ATP 6.17284
14 2W2X GSP 6.48649
15 5WX3 COA 6.89655
16 2Q7D ANP 8.09249
17 5NI5 8YB 9.375
18 6ESN BWE 10.1124
19 3BC1 GNP 22.0339
Pocket No.: 4; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 53
This union binding pocket(no: 4) in the query (biounit: 5e58.bio5) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1HKU NAD 1.39665
2 5JFL NAD 1.62272
3 4B7X NAP 1.62272
4 1PZL MYR 1.68776
5 3FS1 MYR 1.73913
6 6AMI TRP 2.0202
7 5EK3 5PK 2.23325
8 5D9O BGC BGC BGC BGC 2.26629
9 1ORR NAD 2.30548
10 4FZV SAM 2.78552
11 2C49 ADN 2.98013
12 3TFJ THG 2.98103
13 1X0P FAD 3.4965
14 4KWD JF2 3.50318
15 4LS7 1X9 3.52113
16 3KFC 61X 3.55731
17 2HFN FMN 3.92157
18 3RHJ NAP 4.0568
19 4ELG 52J 4.21687
20 1QD1 FON 4.30769
21 3EFV NAD 4.329
22 5UWA 8ND 4.46247
23 1JJE BYS 4.5045
24 2X05 X05 4.86815
25 1RYI FAD 4.97382
26 3TTZ 07N 5.05051
27 5BVT PAM 5.22388
28 1YRX FMN 5.78512
29 3EM0 CHD 6.52174
30 1FKB RAP 6.54206
31 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 7
32 1SBZ FMN 7.1066
33 4AZP A9M 7.97101
34 3FEI CTM 8.2397
35 5UC9 MYR 8.40708
36 1CZI PRO PHI SMC NOR 9.28793
37 3H2B SAH 10.3448
38 3E7O 35F 11.1111
39 2CJF RP4 11.465
40 5EW0 3C7 11.5385
41 2XFH CL6 12.1655
42 2H5Z CTO 14.7541
43 1Z8O DEB 16.3366
44 6CR2 LFV 16.5618
45 5IBE 69M 17.4242
46 3ABA FLI 20.3474
47 5LJ0 6XX 21.5385
48 4UHL VFV 22.87
49 5ZCO TGL 23.4043
50 5Z84 TGL 23.4043
51 4C0C WVH 35.6998
52 1ZOA 140 38.055
53 3UA1 08Y 40.568
Pocket No.: 5; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 18
This union binding pocket(no: 5) in the query (biounit: 5e58.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1UM0 FMN 1.91781
2 4P5Z Q7M 1.93906
3 4GJ3 0XP 1.98676
4 5K8S CMP 2.02703
5 1CX4 CMP 2.29508
6 5VCV 1N1 2.57235
7 4YZC STU 2.71605
8 3E8N VRA 2.93255
9 3E8N ATP 2.93255
10 4G2R H1L 2.95983
11 5VC5 96M 3.11419
12 5HWO HMG 3.33333
13 1MXH DHF 4.34783
14 1MXH NAP 4.34783
15 1DEK DGP 4.56432
16 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 6.27803
17 4G31 0WH 6.35452
18 1IYE PGU 8.09062
Pocket No.: 6; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 20
This union binding pocket(no: 6) in the query (biounit: 5e58.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6GWR FEW 1.5873
2 4R78 AMP 1.61812
3 3FQ8 PMP 2.34192
4 6D6Y SAH 2.63692
5 4GVF NDG 2.86533
6 4GVF NAG 2.86533
7 2VAR KDF 2.8754
8 2VAR KDG 2.8754
9 5G57 6M5 4.16667
10 4P6X HCY 4.31373
11 1DMH LIO 4.82315
12 5GUB NGA GCD 5.38302
13 4JP3 CIT 5.43933
14 3VC1 GST 6.73077
15 4E2J MOF 8
16 2F59 INI 8.28025
17 1N4Q MGM 9.28382
18 2X5W K2B 16.3636
19 5AK8 ALA ARG 18.9498
20 5MT9 SRO 47.619
Pocket No.: 7; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 15
This union binding pocket(no: 7) in the query (biounit: 5e58.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4EN4 GT0 1.92308
2 6ALW BNV 2.08333
3 3GGO ENO 3.18471
4 3GGO NAI 3.18471
5 1XG5 NAP 3.22581
6 4N9I PCG 4.28571
7 3WLE NAD 4.39883
8 5MY8 RXZ 6.78851
9 1IIM TTP 6.84932
10 2R40 EPH 8.64662
11 1ZAP A70 9.64912
12 4DRJ RAP 9.72222
13 4DRI RAP 12.5
14 1UJ2 ADP 16.2698
15 2F1K NAP 17.2043
Pocket No.: 8; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 35
This union binding pocket(no: 8) in the query (biounit: 5e58.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5T67 SAH 1.68269
3 5T67 JHZ 1.68269
4 3PFD FDA 2.03562
5 4OH4 ANP 2.1021
6 4F07 FAD 2.10526
7 4TTS 6DD 2.20126
8 2H8H H8H 2.43408
9 5GWT SIN 2.51799
10 3A7R LAQ 2.67062
11 5A0U CHT 2.83976
12 3ANP DCC 2.94118
13 5EOU ATP 2.95699
14 4L77 CNL 3.01508
15 1SG4 CO8 3.07692
16 4E1O PLP PVH 3.7422
17 1KOL NAD 3.76884
18 2R0N TGC 3.80711
19 3T03 3T0 3.87324
20 3GON ANP 3.8806
21 1UHK CZN 4.18848
22 2DM6 NAP 4.2042
23 5GUD NDP 4.4586
24 5GUD 2IT 4.4586
25 1WPV HIS 4.7619
26 1QZR CDX 5.26316
27 1O7Q UDP 6.57439
28 1O7Q GAL NAG 6.57439
29 6F68 4EU 8.13008
30 6F68 GSH 8.13008
31 3KIH GDL 13.4021
32 1P6O HPY 14.2857
33 1P0Z FLC 16.7939
34 1USF FMN 19.1011
35 4EKQ NPO 21.3904
Pocket No.: 9; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 7
This union binding pocket(no: 9) in the query (biounit: 5e58.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1GEG NAD 2.34375
2 1PNO NAP 3.33333
3 2XD9 XD9 4.19162
4 4LAM 5CU 5.85106
5 6DEF GCP 5.88235
6 3OGN 3OG 7.25806
7 6AYB KKK 35.9026
Pocket No.: 10; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 19
This union binding pocket(no: 10) in the query (biounit: 5e58.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3NVD OAN 1.62272
2 3O61 GDD 2.09424
3 2ZB4 5OP 2.2409
4 5GWT NAD 2.51799
5 2C49 ANP 2.98013
6 5W19 9TD 2.99786
7 3PFG SAM 3.04183
8 3PFG TLO 3.04183
9 3B6O TMP 3.64372
10 2WOX NDP 3.88548
11 4P6C RES 4.20168
12 5J5R 6G1 4.88432
13 5J5R IMP 4.88432
14 2WSB NAD 6.69291
15 1YKD CMP 8.54271
16 2BOY BHO 9.05512
17 5DEP UD1 11.6279
18 5K0A FAD 11.8182
19 1TIP F6P 12.0419
Pocket No.: 11; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 7
This union binding pocket(no: 11) in the query (biounit: 5e58.bio6) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4WGF HX2 2.43902
2 5ZKC 3C0 2.61283
3 2Q4G CIT 3.87597
4 2CYE COA 5.26316
5 4CIB 7UZ 8.57143
6 3OKI OKI 13.3047
7 1USF NAP 19.1011
Pocket No.: 12; Query (leader) PDB : 5E58; Ligand: CPZ; Similar sites found with APoc: 8
This union binding pocket(no: 12) in the query (biounit: 5e58.bio6) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2WYA HMG 1.73913
2 6CI9 NAP 2.7027
3 3S5Y DGJ 2.76382
4 3APT FAD 2.90323
5 2PEL LBT 2.9661
6 4IKR PVP 3.34347
7 5UR1 YY9 5.14469
8 1D6H COA 8.52713
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