Structure of PDB 3s1i Chain B Binding Site BS02

Receptor Information
>3s1i Chain B (length=131) Species: 481448 (Methylacidiphilum infernorum V4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDQKEKELIKESWKRIEPNKNEIGLLFYANLFKEEPTVSVLFQNPISSQS
RKLMQVLGILVQGIDNLEGLIPTLQDLGRRHKQYGVVDSHYPLVGDCLLK
SIQEYLGQGFTEEAKAAWTKVYGIAAQVMTA
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain3s1i Chain B Residue 141 [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]
PDB3s1i Hell's Gate globin I: an acid and thermostable bacterial hemoglobin resembling mammalian neuroglobin
Resolution1.77 Å
Binding residue
(original residue number in PDB)		Y29 Q50
Binding residue
(residue number reindexed from 1)		Y28 Q49
Annotation score4
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:0001666 response to hypoxia
GO:0015671 oxygen transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3s1i, PDBe:3s1i, PDBj:3s1i
PDBsum3s1i
PubMed21925500
UniProtB3DUZ7

[Back to BioLiP]