Structure of PDB 1xaf Chain A Binding Site BS01

Receptor Information
>1xaf Chain A (length=242) Species: 198215 (Shigella flexneri 2a str. 2457T) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKLIVPQWPLPKGVAACSSTRIGGVSLPPYDSLNLGAHCGDNPDHVEENR
KRLFAAGNLPSKPVWLEQVHGKDVLKLTGEPYASKRADASYSNTPGTVCA
VMTADCLPVLFCNRAGTEVAAVHAGWRGLCAGVLEETVSCFADKPENILA
WLGPAIGPRAFEVGAEVREAFMAVDAKASAAFIQHGDKYLADIYQLARQR
LANVGVEQIFGGDRCTYTENETFFSYRRDKTTGRMASFIWLI
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1xaf Chain A Residue 501 [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]
PDB1xaf Crystal structure of hypothetical protein YfiH from Shigella flexneri at 2 A resolution.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		H71 C107 H124
Binding residue
(residue number reindexed from 1)		H70 C106 H123
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.
2.4.2.28: S-methyl-5'-thioadenosine phosphorylase.
3.5.4.4: adenosine deaminase.
Gene Ontology
Molecular Function
GO:0004000 adenosine deaminase activity
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0016787 hydrolase activity
GO:0017061 S-methyl-5-thioadenosine phosphorylase activity
GO:0046872 metal ion binding
GO:0046936 2'-deoxyadenosine deaminase activity

View graph for
Molecular Function
External links
PDB RCSB:1xaf, PDBe:1xaf, PDBj:1xaf
PDBsum1xaf
PubMed16498617
UniProtA0A384KG77|PURNU_SHIFL Purine nucleoside phosphorylase YfiH (Gene Name=yfiH)

[Back to BioLiP]