Receptor
PDB id Resolution Class Description Source Keywords
5KLU 1.99 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN-SWAPPED DIMER OF YEAST ISO-1-C C WITH OMEGA-UNDECYLENYL-BETA-D-MALTOPYRANOSIDE SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) ELECTRON TRANSPORT APOPTOSIS LIPID BINDING ELECTRON TRANSPO
Ref.: CYTOCHROME C CAN FORM A WELL-DEFINED BINDING POCKET HYDROCARBONS. J. AM. CHEM. SOC. V. 138 16770 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:201;
B:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:205;
B:203;
A:203;
A:204;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
6UZ A:202;
B:202;
Valid;
Valid;
none;
none;
submit data
494.573 C23 H42 O11 C=CCC...
GLU B:103;
Invalid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GD6 1.2 Å NON-ENZYME: OTHER CYTOCHROME C IN COMPLEX WITH SULFONATO-CALIX[8]ARENE, H3 FOR AMMONIUM SULFATE SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) CALIXARENE SCAFFOLD SUPRAMOLECULAR ASSEMBLY OXIDOREDUCTA
Ref.: AUTO-REGULATED PROTEIN ASSEMBLY ON A SUPRAMOLECULAR SCAFFOLD. ANGEW. CHEM. INT. ED. ENGL. V. 57 13764 2018
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6GD6 - EVB C56 H48 O32 S8 c1c(cc2c(c....
2 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
3 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
4 6S8Y - L0T C82 H44 N16 O34 S8 CC(=O)Nc1c....
5 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6RSJ - EVB C56 H48 O32 S8 c1c(cc2c(c....
7 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
8 6RSI - EVB C56 H48 O32 S8 c1c(cc2c(c....
9 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
10 6RSL - EVB C56 H48 O32 S8 c1c(cc2c(c....
11 6RSK - EVB C56 H48 O32 S8 c1c(cc2c(c....
12 6SUY - LVT C36 H32 O24 S4 c1c(cc2c(c....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6GD6 - EVB C56 H48 O32 S8 c1c(cc2c(c....
2 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
3 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
4 6S8Y - L0T C82 H44 N16 O34 S8 CC(=O)Nc1c....
5 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6RSJ - EVB C56 H48 O32 S8 c1c(cc2c(c....
7 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
8 6RSI - EVB C56 H48 O32 S8 c1c(cc2c(c....
9 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
10 6RSL - EVB C56 H48 O32 S8 c1c(cc2c(c....
11 6RSK - EVB C56 H48 O32 S8 c1c(cc2c(c....
12 6SUY - LVT C36 H32 O24 S4 c1c(cc2c(c....
13 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6GD6 - EVB C56 H48 O32 S8 c1c(cc2c(c....
2 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
3 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
4 6S8Y - L0T C82 H44 N16 O34 S8 CC(=O)Nc1c....
5 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6RSJ - EVB C56 H48 O32 S8 c1c(cc2c(c....
7 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
8 6RSI - EVB C56 H48 O32 S8 c1c(cc2c(c....
9 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
10 6RSL - EVB C56 H48 O32 S8 c1c(cc2c(c....
11 6RSK - EVB C56 H48 O32 S8 c1c(cc2c(c....
12 6SUY - LVT C36 H32 O24 S4 c1c(cc2c(c....
13 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6UZ; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 6UZ 1 1
2 LMU 0.738462 0.840909
3 UMQ 0.738462 0.840909
4 LMT 0.738462 0.840909
5 DMU 0.738462 0.840909
6 GLC NBU GAL GLA 0.656716 0.813953
7 GLC EDO GLC 0.650794 0.85
8 MA4 0.648649 0.948718
9 CM5 0.635135 0.948718
10 BGC 5VQ GAL GLA 0.61194 0.809524
11 BGC GLA GAL 0.539683 0.846154
12 MGL GAL 0.515152 0.804878
13 BNG 0.507463 0.795455
14 HSJ 0.507463 0.795455
15 BOG 0.507463 0.795455
16 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.846154
17 GLC GLC GLC GLC BGC GLC GLC 0.5 0.846154
18 MAN BMA BMA BMA BMA BMA BMA 0.5 0.846154
19 B7G 0.492537 0.795455
20 KGM 0.492537 0.795455
21 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.487179 0.846154
22 JZR 0.477612 0.772727
23 BHG 0.477612 0.772727
24 HEX GLC 0.477612 0.772727
25 BGC XGP 0.472222 0.6875
26 LSE 0.468354 0.641509
27 AFO 0.462687 0.717391
28 G2F BGC BGC BGC BGC BGC 0.460526 0.790698
29 G2F SHG BGC BGC 0.459459 0.767442
30 MAN BMA BMA 0.459459 0.85
31 BGC 18C GAL 0.459184 0.666667
32 BGC SPH GAL OCA 0.459184 0.666667
33 BMA BMA BMA BMA GLA 0.45 0.846154
34 DR4 0.447368 0.795455
35 XNS 0.447368 0.795455
36 NAG GAL BGC GAL 0.447059 0.647059
37 GPM GLC 0.445946 0.708333
38 10M 0.444444 0.787234
39 BGC BGC BGC BGC BGC BGC BGC BGC 0.441558 0.846154
40 GLC GLC GLC GLC GLC 0.4375 0.846154
41 BQZ 0.4375 0.769231
42 BGC GLC GLC GLC 0.4375 0.846154
43 FRU BGC BGC BGC 0.435897 0.790698
44 OPM MAN MAN 0.433735 0.818182
45 DEG 0.432836 0.744186
46 GLC BGC BGC 0.432099 0.804878
47 G3I 0.43038 0.708333
48 BGC OXZ BGC 0.43038 0.641509
49 G2I 0.43038 0.708333
50 GLO GLC GLC 0.428571 0.804878
51 BGC SPH GAL OLA 0.427083 0.660714
52 BGC SPH GAL DAO 0.427083 0.660714
53 BGC GAL GLA 0.426667 0.846154
54 SOR GLC GLC 0.425 0.825
55 IGC 0.424528 0.666667
56 LGN 0.424528 0.666667
57 MGL SGC BGC BGC 0.423529 0.75
58 BGC GLC GLC 0.423077 0.846154
59 XYS GLC GLC 0.419753 0.825
60 GLO GLC GLC GLC 0.418605 0.804878
61 GTM BGC BGC 0.409639 0.75
62 GLC GLC G6D ADH GLC GLC 0.409639 0.666667
63 BHE 0.409639 0.822222
64 HSH GLA FUC 0.406977 0.822222
65 MBG GLA 0.405797 0.804878
66 TVD GAL 0.402597 0.6
67 GAL GLA 0.4 0.846154
68 BGC ERA GAL 0.4 0.655172
Similar Ligands (3D)
Ligand no: 1; Ligand: 6UZ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GD6; Ligand: EVB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6gd6.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
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