Structure of PDB 2bkm Chain B Binding Site BS03

Receptor Information
>2bkm Chain B (length=128) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQWQTLYEAIGGEETVAKLVEAFYRRVAAHPDLRPIFPDDLTETAHKQKQ
FLTQYLGGPPLYTAEHGHPMLRARHLRFEITPKRAEAWLACMRAAMDEIG
LSGPAREQFYHRLVLTAHHMVNTPDHLD
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain2bkm Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bkm Crystal Structure and Ligand Binding Properties of the Truncated Hemoglobin from Geobacillus Stearothermophilus
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y26 F39 Q50 W90
Binding residue
(residue number reindexed from 1)		Y24 F37 Q48 W88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005344 oxygen carrier activity
GO:0019825 oxygen binding
GO:0020037 heme binding
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:2bkm, PDBe:2bkm, PDBj:2bkm
PDBsum2bkm
PubMed17126283
UniProtQ5L1S0

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