Structure of PDB 4z40 Chain E Binding Site BS01

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 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4z40 Structural basis of enzymatic benzene ring reduction.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		C20 N21 G22 C23 R24 C26 C128 L133
Binding residue
(residue number reindexed from 1)		C15 N16 G17 C18 R19 C21 C123 L128
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

[Back to BioLiP]