Receptor
PDB id Resolution Class Description Source Keywords
2A06 2.1 Å EC: 1.10.2.2 BOVINE CYTOCHROME BC1 COMPLEX WITH STIGMATELLIN BOUND BOS TAURUS CYTOCHROME BC1 MEMBRANE PROTEIN HEME PROTEIN RIESKE IRON PROTEIN CYTOCHROME B CYTOCHROME C1 COMPLEX III MITOCHONPROCESSING PROTEASE UBIQUINONE OXIDOREDUCTASE REDOX ENZYRESPIRATORY CHAIN STIGMATELLIN
Ref.: BINDING OF THE RESPIRATORY CHAIN INHIBITOR ANTIMYCI MITOCHONDRIAL BC(1) COMPLEX: A NEW CRYSTAL STRUCTUR AN ALTERED INTRAMOLECULAR HYDROGEN-BONDING PATTERN. J.MOL.BIOL. V. 351 573 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZI A:4002;
C:2005;
G:4001;
P:3005;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
42.02 N3 [N-]=...
BHG A:4004;
C:2011;
F:3012;
F:4003;
P:3011;
S:2012;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
264.315 C12 H24 O6 CCCCC...
CDL C:2004;
D:2003;
P:3004;
Q:3003;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
1464.04 C81 H156 O17 P2 CCCCC...
FES E:501;
R:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
GOL C:2008;
C:4008;
E:4006;
E:4007;
O:4005;
P:3008;
P:4009;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HEC D:501;
Q:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
618.503 C34 H34 Fe N4 O4 CC=C1...
HEM C:501;
C:502;
P:501;
P:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PEE B:4017;
C:2007;
D:2006;
P:3007;
Q:3006;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
749.073 C41 H83 N O8 P CCCCC...
PO4 A:2010;
B:3009;
D:4010;
D:4011;
I:4015;
O:2009;
P:3010;
Q:4012;
R:4013;
R:4014;
T:4016;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
SMA C:2001;
P:3001;
Valid;
Valid;
none;
none;
Kd ~ 30 pM
514.65 C30 H42 O7 C/C=C...
UNL A:4032;
A:4035;
A:4038;
A:4048;
A:4075;
A:4076;
A:4081;
A:4085;
A:4087;
A:4091;
B:4025;
B:4026;
B:4030;
B:4034;
B:4039;
B:4042;
B:4051;
B:4052;
B:4057;
B:4079;
B:4080;
C:4018;
C:4023;
C:4045;
C:4063;
C:4068;
C:4086;
D:4027;
D:4036;
D:4054;
D:4059;
D:4062;
D:4067;
D:4083;
E:4050;
E:4061;
F:4028;
G:4053;
G:4064;
G:4070;
I:4033;
I:4072;
N:4019;
N:4022;
N:4029;
N:4073;
O:4020;
O:4031;
O:4037;
O:4041;
O:4043;
O:4071;
O:4082;
O:4084;
P:4021;
P:4040;
P:4046;
P:4058;
P:4060;
P:4074;
P:4089;
Q:4044;
R:4055;
R:4069;
S:4047;
T:4065;
T:4066;
U:4049;
U:4056;
V:4024;
V:4078;
V:4088;
V:4090;
W:4077;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
n/a NULL NULL
UQ C:2002;
P:3002;
Invalid;
Invalid;
none;
none;
submit data
863.343 C59 H90 O4 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2A06 2.1 Å EC: 1.10.2.2 BOVINE CYTOCHROME BC1 COMPLEX WITH STIGMATELLIN BOUND BOS TAURUS CYTOCHROME BC1 MEMBRANE PROTEIN HEME PROTEIN RIESKE IRON PROTEIN CYTOCHROME B CYTOCHROME C1 COMPLEX III MITOCHONPROCESSING PROTEASE UBIQUINONE OXIDOREDUCTASE REDOX ENZYRESPIRATORY CHAIN STIGMATELLIN
Ref.: BINDING OF THE RESPIRATORY CHAIN INHIBITOR ANTIMYCI MITOCHONDRIAL BC(1) COMPLEX: A NEW CRYSTAL STRUCTUR AN ALTERED INTRAMOLECULAR HYDROGEN-BONDING PATTERN. J.MOL.BIOL. V. 351 573 2005
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1PP9 - BHG C12 H24 O6 CCCCCCO[C@....
2 1PPJ - BHG C12 H24 O6 CCCCCCO[C@....
3 2A06 Kd ~ 30 pM SMA C30 H42 O7 C/C=C(C)/C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1PP9 - BHG C12 H24 O6 CCCCCCO[C@....
2 1PPJ - BHG C12 H24 O6 CCCCCCO[C@....
3 2A06 Kd ~ 30 pM SMA C30 H42 O7 C/C=C(C)/C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1PP9 - BHG C12 H24 O6 CCCCCCO[C@....
2 1PPJ - BHG C12 H24 O6 CCCCCCO[C@....
3 2A06 Kd ~ 30 pM 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 : 2A06; Ligand: SMA; 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: 2a06.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2A06; Ligand: SMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2a06.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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