Structure of PDB 1rxq Chain D Binding Site BS02

Receptor Information
>1rxq Chain D (length=169) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGEYKPRESISKEQKDKWIQVLEEVPAKLKQAVEVMTDSQLDTPYRDGGW
TVRQVVHHLADSHMNSYIRFKLSLTEETPAIRPYDEKAWSELKDSKTADP
SGSLALLQELHGRWTALLRTLTDQQFKRGFYHPDTKEIITLENALGLYVW
HSHHHIAHITELSRRMGWS
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain1rxq Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rxq YfiT from Bacillus subtilis Is a Probable Metal-Dependent Hydrolase with an Unusual Four-Helix Bundle Topology
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L156 Y157 W159 H160
Binding residue
(residue number reindexed from 1)		L147 Y148 W150 H151
Annotation score4
Enzymatic activity
Enzyme Commision number 3.-.-.-
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1rxq, PDBe:1rxq, PDBj:1rxq
PDBsum1rxq
PubMed15581359
UniProtO31562|YFIT_BACSU Putative metal-dependent hydrolase YfiT (Gene Name=yfiT)

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