Structure of PDB 6p5q Chain B Binding Site BS02

Receptor Information
>6p5q Chain B (length=239) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFSRGPLMEAASYPAWTQQLIQDCSESKRRVVEHELYQRMRDNKLSAKVM
RQYLIGGWPVVEQFALYMAQNLTKTRFARHPGEDMARRWLMRNIRVELNH
ADYWVHWSRAHGVTLEDLQAQQVPPELHALSHWCWHTSSADSLIVAIAAT
NYAIEGATGEWSALVCSNGIYAAAFPEEDRKRAMKWLKMHAAHPWEALEI
IVTLAGLNPTKALQAELRQAICKSYDYMYLFLERCMQQE
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6p5q Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6p5q Substrate-Triggered Formation of a Peroxo-Fe2(III/III) Intermediate during Fatty Acid Decarboxylation by UndA.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		E101 H104 H194
Binding residue
(residue number reindexed from 1)		E97 H100 H190
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) P128 P217
Catalytic site (residue number reindexed from 1) P124 P209
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6p5q, PDBe:6p5q, PDBj:6p5q
PDBsum6p5q
PubMed31487162
UniProtQ4K8M0

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