Receptor
PDB id Resolution Class Description Source Keywords
3CXH 2.5 Å EC: 1.10.2.2 STRUCTURE OF YEAST COMPLEX III WITH ISOFORM-2 CYTOCHROME C B DEFINITION OF A MINIMAL CORE INTERFACE FOR ELECTRON TRANSFE SACCHAROMYCES CEREVISIAE COMPLEX III CYTOCHROME C ISOFORM-2 ELECTRON TRANSFER COMPLCYTOCHROME BC1 COMPLEX MITOCHONDRIALTRANSMEMBRANE COMPLEXRESPIRATORY CHAIN TRANSIENT PROTEIN-PROTEIN INTERACTION ETRANSPORT INNER MEMBRANE MITOCHONDRION TRANSIT PEPTIDE TRANSPORT PHOSPHOPROTEIN HEME IRON METAL-BINDING IRON-OXIDOREDUCTASE
Ref.: STRUCTURE OF COMPLEX III WITH BOUND CYTOCHROME C IN STATE AND DEFINITION OF A MINIMAL CORE INTERFACE FO ELECTRON TRANSFER. J.BIOL.CHEM. V. 283 17542 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6PH E:4013;
L:4113;
Invalid;
Invalid;
none;
none;
submit data
592.785 C31 H61 O8 P CCCCC...
7PH D:4014;
O:4114;
Invalid;
Invalid;
none;
none;
submit data
564.732 C29 H57 O8 P CCCCC...
8PE C:4010;
N:4110;
Invalid;
Invalid;
none;
none;
submit data
691.959 C37 H74 N O8 P CCCCC...
9PE C:4111;
N:4011;
Invalid;
Invalid;
none;
none;
submit data
593.773 C30 H60 N O8 P CCCCC...
CN6 C:4031;
N:4131;
Invalid;
Invalid;
none;
none;
submit data
764.73 C31 H58 O17 P2 CCCCC...
FES E:4004;
P:4024;
Part of Protein;
Part of Protein;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
HEM C:4001;
C:4002;
D:4003;
N:4021;
N:4022;
O:4023;
W:4026;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SMA C:4005;
N:4025;
Valid;
Valid;
none;
none;
submit data
514.65 C30 H42 O7 C/C=C...
SUC O:4146;
Invalid;
none;
submit data
342.296 C12 H22 O11 C([C@...
UMQ A:4021;
L:4121;
Invalid;
Invalid;
none;
none;
submit data
496.589 C23 H44 O11 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CXH 2.5 Å EC: 1.10.2.2 STRUCTURE OF YEAST COMPLEX III WITH ISOFORM-2 CYTOCHROME C B DEFINITION OF A MINIMAL CORE INTERFACE FOR ELECTRON TRANSFE SACCHAROMYCES CEREVISIAE COMPLEX III CYTOCHROME C ISOFORM-2 ELECTRON TRANSFER COMPLCYTOCHROME BC1 COMPLEX MITOCHONDRIALTRANSMEMBRANE COMPLEXRESPIRATORY CHAIN TRANSIENT PROTEIN-PROTEIN INTERACTION ETRANSPORT INNER MEMBRANE MITOCHONDRION TRANSIT PEPTIDE TRANSPORT PHOSPHOPROTEIN HEME IRON METAL-BINDING IRON-OXIDOREDUCTASE
Ref.: STRUCTURE OF COMPLEX III WITH BOUND CYTOCHROME C IN STATE AND DEFINITION OF A MINIMAL CORE INTERFACE FO ELECTRON TRANSFER. J.BIOL.CHEM. V. 283 17542 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3CXH - SMA C30 H42 O7 C/C=C(C)/C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CXH - SMA C30 H42 O7 C/C=C(C)/C....
2 3CX5 - SMA C30 H42 O7 C/C=C(C)/C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CXH - SMA C30 H42 O7 C/C=C(C)/C....
2 3CX5 - SMA C30 H42 O7 C/C=C(C)/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SMA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SMA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CXH; Ligand: SMA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3cxh.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CXH; Ligand: SMA; Similar sites found: 28
This union binding pocket(no: 2) in the query (biounit: 3cxh.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4J6C STR 0.03048 0.40256 9.58904
2 4I9B 1KA 0.02671 0.40605 10.3175
3 3OGN 3OG 0.01272 0.40326 10.7527
4 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01277 0.43889 10.7692
5 4XCP PLM 0.0008716 0.48801 12.3529
6 3E3U NVC 0.01119 0.41285 13.3929
7 4LWU 20U 0.006158 0.42523 14.1176
8 3B9Z CO2 0.04714 0.40723 14.3836
9 1GEG GLC 0.02115 0.41641 15.0538
10 3W54 RNB 0.004937 0.42206 15.1786
11 2HI4 BHF 0.0138 0.40164 15.3846
12 1AUA BOG 0.01444 0.42376 15.873
13 4G8R 96P 0.04627 0.40138 16.129
14 4UCC ZKW 0.02046 0.41925 18.4549
15 1RL4 BL5 0.009001 0.41331 18.4615
16 5IR4 ZPE 0.007233 0.40703 18.4615
17 3KP6 SAL 0.004175 0.46372 19.2053
18 5U9J GER 0.03359 0.40432 19.8413
19 4NV0 MG7 0.03073 0.40638 21.4286
20 3ZJQ NCA 0.03247 0.40469 21.4286
21 5V4R MGT 0.01065 0.44707 22.2222
22 2QQD AG2 0.02782 0.40868 24.1071
23 1XVB BHL 0.001953 0.42738 24.6154
24 4F4S EFO 0.03214 0.40535 25
25 3RV5 DXC 0.0002078 0.41012 28.0899
26 5DCH 1YO 0.03956 0.40119 30.8411
27 2VWA PTY 0.0212 0.4237 37.6238
28 4CCO OGA 0.01853 0.41804 40
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