Receptor
PDB id Resolution Class Description Source Keywords
3CX5 1.9 Å EC: 1.10.2.2 STRUCTURE OF COMPLEX III WITH BOUND CYTOCHROME C IN REDUCED DEFINITION OF A MINIMAL CORE INTERFACE FOR ELECTRON TRANSFE SACCHAROMYCES CEREVISIAE COMPLEX III CYTOCHROME C ELECTRON TRANSFER COMPLEX CYTOCHCOMPLEX MITOCHONDRIALTRANSMEMBRANE COMPLEX RESPIRATORY CHTRANSIENT PROTEIN-PROTEIN INTERACTION ELECTRON TRANSPORT MEMBRANE MITOCHONDRION TRANSIT PEPTIDE TRANSPORT PHOSPHHEME IRON METAL-BINDING IRON-SULFUR OXIDOREDUCTASE MET
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 A: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:4011;
N:4111;
Invalid;
Invalid;
none;
none;
submit data
593.773 C30 H60 N O8 P CCCCC...
CN3 D:4031;
N:4131;
Invalid;
Invalid;
none;
none;
submit data
834.862 C36 H68 O17 P2 CCCCC...
CN5 C:4033;
Invalid;
none;
submit data
634.631 C26 H52 O13 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
3CX5 1.9 Å EC: 1.10.2.2 STRUCTURE OF COMPLEX III WITH BOUND CYTOCHROME C IN REDUCED DEFINITION OF A MINIMAL CORE INTERFACE FOR ELECTRON TRANSFE SACCHAROMYCES CEREVISIAE COMPLEX III CYTOCHROME C ELECTRON TRANSFER COMPLEX CYTOCHCOMPLEX MITOCHONDRIALTRANSMEMBRANE COMPLEX RESPIRATORY CHTRANSIENT PROTEIN-PROTEIN INTERACTION ELECTRON TRANSPORT MEMBRANE MITOCHONDRION TRANSIT PEPTIDE TRANSPORT PHOSPHHEME IRON METAL-BINDING IRON-SULFUR OXIDOREDUCTASE MET
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 3CX5 - 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 : 3CX5; 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: 3cx5.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CX5; Ligand: SMA; Similar sites found: 23
This union binding pocket(no: 2) in the query (biounit: 3cx5.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AZC PGT 0.008272 0.4296 10.3175
2 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01232 0.43806 10.7692
3 3HYW DCQ 0.01127 0.42889 12.037
4 1VPD TLA 0.007426 0.44224 12.3077
5 4XCP PLM 0.001778 0.46983 12.3529
6 3TL1 JRO 0.02148 0.41329 12.963
7 4LWU 20U 0.007365 0.42007 14.1176
8 3B9Z CO2 0.04542 0.40785 14.3836
9 1GEG GLC 0.01891 0.42052 15.0538
10 1AUA BOG 0.02265 0.41207 15.873
11 3V78 ET 0.0112 0.41523 16.9231
12 4UCC ZKW 0.0223 0.41474 18.4549
13 3KP6 SAL 0.004145 0.46231 19.2053
14 1L0I PSR 0.03256 0.40976 19.2308
15 3ZJQ NCA 0.02778 0.40944 21.4286
16 3LXI CAM 0.03758 0.40153 21.5054
17 5V4R MGT 0.01039 0.44481 22.2222
18 2QQC AG2 0.03485 0.40216 24.1071
19 4F4S EFO 0.01965 0.41533 25
20 3RV5 DXC 0.0001913 0.41739 28.0899
21 2VE3 REA 0.0175 0.40958 29.2308
22 1UO5 PIH 0.009551 0.4326 29.4118
23 2VWA PTY 0.01876 0.42603 37.6238
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