Structure of PDB 2cb2 Chain A Binding Site BS01

Receptor Information
>2cb2 Chain A (length=307) Species: 2283 (Acidianus ambivalens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKPYVAINMAELKNEPKTFEMFASVGPKVCMVTARHPGFVGFQNHIQIGI
LPFGNRYGGAKMDMTKESSTVRVLQYTFWKDWKDHEEMHRQNWSYLFRLC
YSCASQMIWGPWEPIYEIIYANMPINTEMTDFTAVVGKKFAEGKPLDIPV
ISQPYGKRVVAFAEHSVIPGKEKQFEDAIVRTLEMLKKAPGFLGAMVLKE
IGVSGIGSMQFGAKGFHQVLENPGSLEPDPNNVMYSVPEAKNTPQQYIVH
VEWANTDALMFGMGRVLLYPELRQVHDEVLDTLVYGPYIRILNPMMEGTF
WREYLNE
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 chain2cb2 Chain A Residue 1310 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cb2 X-Ray Structure of a Self-Compartmentalizing Sulfur Cycle Metalloenzyme
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H86 H90 E114
Binding residue
(residue number reindexed from 1)		H85 H89 E113
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.55: sulfur oxygenase/reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0033755 sulfur oxygenase/reductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:2cb2, PDBe:2cb2, PDBj:2cb2
PDBsum2cb2
PubMed16484493
UniProtP29082|SOR_ACIAM Sulfur oxygenase/reductase (Gene Name=sor)

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