Structure of PDB 4z40 Chain E Binding Site BS02

Receptor Information
>4z40 Chain E (length=166) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKRIVKTINIDADKCNGCRACEVICSAFHAMPPYSSNNPARSRVRVVRDP
LRDIYVPLYAGEYTESECIGRDKFIIDGKEYDECGFCRASCPSRDLFREP
DSGLPLKCDLCDGEPEPLCVKWCLVGALSVTEREVEEPDKRTEMEIGLES
LISRFGADVVADTVEQ
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 chain4z40 Chain E Residue 1002 [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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PDB4z40 Structural basis of enzymatic benzene ring reduction.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		C30 H34 R48 V49 Y64 C113 D114 L115 C116 C124
Binding residue
(residue number reindexed from 1)		C25 H29 R43 V44 Y59 C108 D109 L110 C111 C119
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:4z40, PDBe:4z40, PDBj:4z40
PDBsum4z40
PubMed26120796
UniProtQ39TV9

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