Structure of PDB 4xpw Chain A Binding Site BS01

Receptor Information
>4xpw 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
EVNQDTTRFVRDWFVNHIPKVDKLYGPCLSA
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain4xpw Chain A Residue 201 [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]
PDB4xpw The bacteriohemerythrin from Methylococcus capsulatus (Bath): Crystal structures reveal that Leu114 regulates a water tunnel.
Resolution1.17 Å
Binding residue
(original residue number in PDB)		E62 H77 H81 H117 D122
Binding residue
(residue number reindexed from 1)		E62 H77 H81 H117 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xpw, PDBe:4xpw, PDBj:4xpw
PDBsum4xpw
PubMed25890483
UniProtQ60AX2|HEMTB_METCA Bacteriohemerythrin (Gene Name=MCA0715)

[Back to BioLiP]