Structure of PDB 3rqz Chain B Binding Site BS01

Receptor Information
>3rqz Chain B (length=239) Species: 479434 (Sphaerobacter thermophilus DSM 20745) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILIISDVHANLVALEAVLSDAGRVDDIWSLGDIVGYGPRPRECVELVR
VLAPNISVIGNHDWACIGRLSNPVARFASYWTTMQLQAEHLQYLESLPNR
MIDGDWTVVHGSPRHPIWEYIYNARIAALNFPAFDTPLCFVGHTHVPLYI
REDEALSNVAPHHPNDGEVLDVSSGRYIINPGAVGQPRDGDPRASYAIFE
PDAQRVTFHRVEYRIADTQAQMREAGLPESLVTRLAAGV
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 chain3rqz Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3rqz Crystal structure of metallophosphoesterase from Sphaerobacter thermophilus
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D8 H10 D34 H149
Binding residue
(residue number reindexed from 1)		D8 H10 D34 H145
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:3rqz, PDBe:3rqz, PDBj:3rqz
PDBsum3rqz
PubMed
UniProtD1C4A9

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