Structure of PDB 7vzr Chain g Binding Site BS02

Receptor Information
>7vzr Chain g (length=38) Species: 981222 (Chloracidobacterium thermophilum B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DISKVAWAWFGVLLAICLIGAFGNYVPKLFVKMLMFLN
Ligand information
Ligand ID85N
InChIInChI=1S/C39H75NO7/c1-33(2)26-22-18-14-10-8-12-16-20-24-28-36(41)45-32-38(46-31-35(39(43)44)30-40(5,6)7)47-37(42)29-25-21-17-13-9-11-15-19-23-27-34(3)4/h33-35,38H,8-32H2,1-7H3/p+1/t35-,38+/m0/s1
InChIKeyHRFZWHLOBWLUBX-ZGAWMTGXSA-O
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)CCCCCCCCCCCC(=O)OC[CH](OC[CH](C[N+](C)(C)C)C(O)=O)OC(=O)CCCCCCCCCCCC(C)C
OpenEye OEToolkits 2.0.7CC(C)CCCCCCCCCCCC(=O)OCC(OCC(C[N+](C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C
OpenEye OEToolkits 2.0.7CC(C)CCCCCCCCCCCC(=O)OC[C@H](OC[C@H](C[N+](C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCC(C)C
CACTVS 3.385CC(C)CCCCCCCCCCCC(=O)OC[C@H](OC[C@H](C[N+](C)(C)C)C(O)=O)OC(=O)CCCCCCCCCCCC(C)C
FormulaC39 H76 N O7
Name[(2~{S})-2-[[(1~{R})-1,2-bis(13-methyltetradecanoyloxy)ethoxy]methyl]-3-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium
ChEMBL
DrugBank
ZINC
PDB chain7vzr Chain g Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vzr Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Resolution2.22 Å
Binding residue
(original residue number in PDB)
I26 G30 F43
Binding residue
(residue number reindexed from 1)
I19 G23 F36
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:7vzr, PDBe:7vzr, PDBj:7vzr
PDBsum7vzr
PubMed
UniProtG2LJ20

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