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 (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 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....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 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 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 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 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6UZ; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 6UZ 1 1
2 DMU 0.738462 0.840909
3 UMQ 0.738462 0.840909
4 LMU 0.738462 0.840909
5 LMT 0.738462 0.840909
6 GLA GAL GLC NBU 0.656716 0.813953
7 MAL EDO 0.650794 0.85
8 MA4 0.648649 0.948718
9 CM5 0.635135 0.948718
10 GLA GAL BGC 5VQ 0.61194 0.809524
11 GLA EGA 0.584615 0.804878
12 LAT GLA 0.539683 0.846154
13 DR5 0.515152 0.804878
14 MMA MAN 0.515152 0.804878
15 HSJ 0.507463 0.795455
16 BOG 0.507463 0.795455
17 BNG 0.507463 0.795455
18 BGC GLC GLC GLC GLC 0.5 0.846154
19 GLC BGC BGC BGC 0.5 0.846154
20 GLC BGC BGC BGC BGC 0.5 0.846154
21 MAN BMA BMA BMA BMA 0.5 0.846154
22 MT7 0.5 0.846154
23 BGC GLC GLC GLC GLC GLC GLC 0.5 0.846154
24 BGC GLC GLC 0.5 0.846154
25 BMA BMA BMA BMA BMA BMA 0.5 0.846154
26 BGC BGC BGC 0.5 0.846154
27 CE8 0.5 0.846154
28 DXI 0.5 0.846154
29 BGC BGC BGC BGC 0.5 0.846154
30 BMA BMA BMA BMA BMA 0.5 0.846154
31 GLC GAL GAL 0.5 0.846154
32 CTT 0.5 0.846154
33 CT3 0.5 0.846154
34 MLR 0.5 0.846154
35 GLC BGC BGC BGC BGC BGC 0.5 0.846154
36 MAN MAN BMA BMA BMA BMA 0.5 0.846154
37 CEY 0.5 0.846154
38 CE5 0.5 0.846154
39 GLA GAL GLC 0.5 0.846154
40 CEX 0.5 0.846154
41 GLA GAL BGC 0.5 0.846154
42 GAL GAL GAL 0.5 0.846154
43 GLC BGC GLC 0.5 0.846154
44 CTR 0.5 0.846154
45 BMA BMA BMA 0.5 0.846154
46 MAN BMA BMA 0.5 0.846154
47 BGC BGC BGC GLC 0.5 0.846154
48 GLC BGC BGC 0.5 0.846154
49 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.846154
50 MAN BMA BMA BMA BMA BMA 0.5 0.846154
51 B4G 0.5 0.846154
52 BMA MAN BMA 0.5 0.846154
53 GLC GLC GLC GLC GLC 0.5 0.846154
54 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.846154
55 BGC BGC GLC 0.5 0.846154
56 MTT 0.5 0.846154
57 BGC GLC GLC GLC 0.5 0.846154
58 CE6 0.5 0.846154
59 KGM 0.492537 0.795455
60 B7G 0.492537 0.795455
61 B2G 0.484848 0.846154
62 CBK 0.484848 0.846154
63 MAB 0.484848 0.846154
64 BMA BMA 0.484848 0.846154
65 BMA GAL 0.484848 0.846154
66 LAT 0.484848 0.846154
67 N9S 0.484848 0.846154
68 GLC GAL 0.484848 0.846154
69 BGC BMA 0.484848 0.846154
70 CBI 0.484848 0.846154
71 LBT 0.484848 0.846154
72 GAL BGC 0.484848 0.846154
73 MAL 0.484848 0.846154
74 BGC GAL 0.484848 0.846154
75 GLC HEX 0.477612 0.772727
76 JZR 0.477612 0.772727
77 BHG 0.477612 0.772727
78 LSE 0.468354 0.641509
79 AFO 0.462687 0.717391
80 G2F BGC BGC BGC BGC BGC 0.460526 0.790698
81 BGC 18C GAL 0.459184 0.666667
82 LAT SPH OCA 0.459184 0.666667
83 BMA BMA GLA BMA BMA 0.45 0.846154
84 BMA BMA BMA GLA BMA 0.45 0.846154
85 GLC GLC XYP 0.448718 0.846154
86 DR4 0.447368 0.795455
87 XNS 0.447368 0.795455
88 GAL BGC NAG GAL 0.447059 0.647059
89 10M 0.444444 0.787234
90 BGC BGC BGC BGC BGC BGC BGC BGC 0.441558 0.846154
91 BQZ 0.4375 0.769231
92 GLC GLC GLC BGC 0.4375 0.846154
93 BGC BGC BGC FRU 0.435897 0.790698
94 OPM MAN MAN 0.433735 0.818182
95 DEG 0.432836 0.744186
96 MVP 0.432432 0.68
97 G2I 0.43038 0.708333
98 OXZ BGC BGC 0.43038 0.641509
99 G3I 0.43038 0.708333
100 BGB 0.430233 0.822222
101 GLO GLC GLC 0.428571 0.804878
102 LAT SPH DAO 0.427083 0.660714
103 LAT SPH OLA 0.427083 0.660714
104 GLA GAL GAL 0.426667 0.846154
105 SOR GLC GLC 0.425 0.825
106 LGN 0.424528 0.666667
107 IGC 0.424528 0.666667
108 MGL SGC BGC BGC 0.423529 0.75
109 BGC BGC SGC MGL 0.423529 0.75
110 MGL SGC GLC GLC 0.423529 0.75
111 GLC GLC XYS 0.419753 0.825
112 BMA BMA MAN GLA GLA 0.417722 0.846154
113 U63 0.416667 0.767442
114 GLO GLC GLC GLC 0.414634 0.825
115 SOR GLC GLC GLC 0.414634 0.825
116 TRE 0.409836 0.846154
117 BHE 0.409639 0.822222
118 GTM BGC BGC 0.409639 0.75
119 BGC GLC 0.405797 0.846154
120 2M4 0.405797 0.846154
121 BMA MAN 0.405797 0.846154
122 GLA MBG 0.405797 0.804878
123 BGC BGC 0.402778 0.825
124 8VZ 0.402597 0.6
125 ERA BGC GAL 0.4 0.655172
126 NGR 0.4 0.846154
127 GLA GLA 0.4 0.846154
128 MAN GLC 0.4 0.846154
129 GLC GLC 0.4 0.846154
130 LB2 0.4 0.846154
131 GLA GAL 0.4 0.846154
132 M3M 0.4 0.846154
133 GLC BGC 0.4 0.846154
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
APoc FAQ
Feedback