Structure of PDB 4xq1 Chain A Binding Site BS02

Receptor Information
>4xq1 Chain A (length=131) Species: 243233 (Methylococcus capsulatus str. Bath) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALMTWTAAEFGTNVGFADDQHKTIFDMVNKLHDTAATGNRSEIGKQLDA
LIDYVVMHFKSEETEMQKKGYADFAAHKAEHDKLVGVCADLQKKFHAGEA
EVNQDTTRFVRDWAVNHIPKVDKLYGPCLSA
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 chain4xq1 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xq1 The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H22 H58 E62 D122
Binding residue
(residue number reindexed from 1)		H22 H58 E62 D122
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0046872 metal ion binding
Biological Process
GO:0015671 oxygen transport

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Molecular Function
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Biological Process
External links
PDB RCSB:4xq1, PDBe:4xq1, PDBj:4xq1
PDBsum4xq1
PubMed25890483
UniProtQ60AX2|HEMTB_METCA Bacteriohemerythrin (Gene Name=MCA0715)

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