Structure of PDB 4z3y Chain F Binding Site BS01

Receptor Information
>4z3y Chain F (length=170) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRIVKTINIDADKCNGCRACEVICSAFHAMPPYSSNNPARSRVRVVRDPL
RDIYVPLYAGEYTESECIGRDKFIIDGKEYDECGFCRASCPSRDLFREPD
SGLPLKCDLCDGEPEPLCVKWCLVGALSVTEREVEEPDESVKRTEMEIGL
ESLISRFGADVVADTVEQLT
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4z3y Chain F Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4z3y Structural basis of enzymatic benzene ring reduction.
Resolution2.359 Å
Binding residue
(original residue number in PDB)		C20 N21 G22 C23 R24 C26 C128 L133
Binding residue
(residue number reindexed from 1)		C14 N15 G16 C17 R18 C20 C122 L127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:4z3y, PDBe:4z3y, PDBj:4z3y
PDBsum4z3y
PubMed26120796
UniProtQ39TV9

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