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 (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 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 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
5 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
5 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
7 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 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 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
5 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
7 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6UZ; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 6UZ 1 1
2 UMQ 0.738462 0.840909
3 LMU 0.738462 0.840909
4 DMU 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 MMA MAN 0.515152 0.804878
14 DR5 0.515152 0.804878
15 HSJ 0.507463 0.795455
16 BOG 0.507463 0.795455
17 BNG 0.507463 0.795455
18 GLC GLC BGC 0.5 0.846154
19 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.846154
20 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.846154
21 MAN BMA BMA BMA BMA BMA 0.5 0.846154
22 BGC BGC BGC BGC BGC BGC 0.5 0.846154
23 BGC GLC GLC GLC 0.5 0.846154
24 CT3 0.5 0.846154
25 GLA GAL GLC 0.5 0.846154
26 BMA BMA BMA BMA BMA BMA 0.5 0.846154
27 B4G 0.5 0.846154
28 GLC BGC BGC 0.5 0.846154
29 CEY 0.5 0.846154
30 MAN BMA BMA BMA BMA 0.5 0.846154
31 BGC BGC BGC BGC BGC 0.5 0.846154
32 BGC GLC GLC 0.5 0.846154
33 GLC BGC BGC BGC BGC 0.5 0.846154
34 BMA MAN BMA 0.5 0.846154
35 MLR 0.5 0.846154
36 MAN BMA BMA 0.5 0.846154
37 BMA BMA BMA BMA BMA 0.5 0.846154
38 MAN MAN BMA BMA BMA BMA 0.5 0.846154
39 DXI 0.5 0.846154
40 BGC BGC BGC BGC 0.5 0.846154
41 GAL GAL GAL 0.5 0.846154
42 CE6 0.5 0.846154
43 BGC GLC GLC GLC GLC 0.5 0.846154
44 CE8 0.5 0.846154
45 MT7 0.5 0.846154
46 CTT 0.5 0.846154
47 GLC GAL GAL 0.5 0.846154
48 GLC BGC BGC BGC BGC BGC 0.5 0.846154
49 CEX 0.5 0.846154
50 BGC BGC BGC 0.5 0.846154
51 GLC GLC GLC GLC GLC 0.5 0.846154
52 GLC BGC GLC 0.5 0.846154
53 BGC BGC GLC 0.5 0.846154
54 BGC BGC BGC GLC 0.5 0.846154
55 MTT 0.5 0.846154
56 BMA BMA BMA 0.5 0.846154
57 GLC BGC BGC BGC 0.5 0.846154
58 CTR 0.5 0.846154
59 BGC GLC GLC GLC GLC GLC GLC 0.5 0.846154
60 GLA GAL BGC 0.5 0.846154
61 CE5 0.5 0.846154
62 B7G 0.492537 0.795455
63 KGM 0.492537 0.795455
64 GLA GAL 0.484848 0.846154
65 GLC GAL 0.484848 0.846154
66 GLA GLA 0.484848 0.846154
67 LAT 0.484848 0.846154
68 CBI 0.484848 0.846154
69 BGC GAL 0.484848 0.846154
70 B2G 0.484848 0.846154
71 LBT 0.484848 0.846154
72 MAL 0.484848 0.846154
73 BMA GAL 0.484848 0.846154
74 CBK 0.484848 0.846154
75 GAL BGC 0.484848 0.846154
76 N9S 0.484848 0.846154
77 BGC BMA 0.484848 0.846154
78 MAB 0.484848 0.846154
79 GLC HEX 0.477612 0.772727
80 BHG 0.477612 0.772727
81 JZR 0.477612 0.772727
82 LSE 0.468354 0.641509
83 AFO 0.462687 0.717391
84 G2F BGC BGC BGC BGC BGC 0.460526 0.790698
85 BGC 18C GAL 0.459184 0.666667
86 LAT SPH OCA 0.459184 0.666667
87 BMA BMA GLA BMA BMA 0.45 0.846154
88 GLC GLC XYP 0.448718 0.846154
89 DR4 0.447368 0.795455
90 XNS 0.447368 0.795455
91 GAL BGC NAG GAL 0.447059 0.647059
92 10M 0.444444 0.787234
93 BGC BGC BGC BGC BGC BGC BGC BGC 0.441558 0.846154
94 GLC GLC GLC BGC 0.4375 0.846154
95 BQZ 0.4375 0.769231
96 BGC BGC BGC FRU 0.435897 0.790698
97 OPM MAN MAN 0.433735 0.818182
98 DEG 0.432836 0.744186
99 MVP 0.432432 0.68
100 G3I 0.43038 0.708333
101 G2I 0.43038 0.708333
102 OXZ BGC BGC 0.43038 0.641509
103 BGB 0.430233 0.822222
104 GLO GLC GLC 0.428571 0.804878
105 LAT SPH DAO 0.427083 0.660714
106 LAT SPH OLA 0.427083 0.660714
107 GLA GAL GAL 0.426667 0.846154
108 SOR GLC GLC 0.425 0.825
109 IGC 0.424528 0.666667
110 LGN 0.424528 0.666667
111 BGC BGC SGC MGL 0.423529 0.75
112 MGL SGC BGC BGC 0.423529 0.75
113 MGL SGC GLC GLC 0.423529 0.75
114 GLC GLC XYS 0.419753 0.825
115 U63 0.416667 0.767442
116 SOR GLC GLC GLC 0.414634 0.825
117 GLO GLC GLC GLC 0.414634 0.825
118 TRE 0.409836 0.846154
119 BHE 0.409639 0.822222
120 GTM BGC BGC 0.409639 0.75
121 2M4 0.405797 0.846154
122 GLA MBG 0.405797 0.804878
123 BMA BMA 0.402778 0.825
124 BGC BGC 0.402778 0.825
125 8VZ 0.402597 0.6
126 M3M 0.4 0.846154
127 NGR 0.4 0.846154
128 ERA BGC GAL 0.4 0.655172
129 MAN GLC 0.4 0.846154
130 LB2 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 21 residues
No: Leader PDB Ligand Sequence Similarity
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