Structure of PDB 8p02 Chain F Binding Site BS04

Receptor Information

>8p02 Chain F (length=514) Species: 96773 (Thauera chlorobenzoica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ERVGEKDLRAALEWFRSKGYLVETNKEVNPDLEITGLQKIFDGSLPMLFN
NVKDMPHARAITNLFGDIRVVEELFGWENSLDRVKKVARAIDHPLKPVII
GQDEAPVQEEVLTTDLDVNKWLTAIRHTPLETEMTIGSGISCVVGPYFDG
GSHIGYNRMNFRWGNVGTFQISPGSHMWQVMTEHYKDDEPIPLTMCFGVP
PSCTYVAGAGFDYAILPKGCDEIGIAGAIQGSPVRLVKCRTIDAYTLADA
EYVLEGYLHPRDKRYETAESEAADIQGRFHFHPEWAGYMGKAYKAPTFHV
TAITMRRRESKPIIFPLGVHTADDANIDTSVRESAIFALCERLQPGIVQN
VHIPYCMTDWGGCIIQVKKRNQIEEGWQRNFLAAILACSQGMRLAIAVSE
DVDIYSMDDIMWCLTTRVNPQTDILNPLPGGRGQTFMPAERMTSGDKQWT
ASNTQFEGGMGIDATVPYGYESDFHRPVYGVDLVKPENFFDAKDIDKMKS
RMAGWVLSLARTGR

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

8p02 Chain F Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8p02 Cryo-EM structure of Phthaloyl-CoA decarboxylase (Pcd) bound with product, benzoyl-CoA
Resolution	2.3 Å
Binding residue (original residue number in PDB)	R430 D436 D476 A477 T478
Binding residue (residue number reindexed from 1)	R417 D423 D463 A464 T465
Annotation score	4

Gene Ontology

	Molecular Function
GO:0016831	carboxy-lyase activity

	Biological Process
GO:0033494	ferulate metabolic process
GO:0046281	cinnamic acid catabolic process

	Cellular Component
GO:0005737	cytoplasm

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Cellular Component

External links

PDB	RCSB:8p02, PDBe:8p02, PDBj:8p02
PDBsum	8p02
PubMed
UniProt	A0A193DUB4

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