Structure of PDB 3t01 Chain A Binding Site BS02

Receptor Information
>3t01 Chain A (length=413) Species: 266834 (Sinorhizobium meliloti 1021) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKISVTVNGRRYPWPRVPAIAVCLDGCEPAYLDAAIDAGLMPALKRIKE
RGAVRLAHSVIPSFTNPNNLSIATGSPPAVHGICGNYLYEPSTGEEVMMN
DPKFLRAPTIFQAFYDAGARVAVVTAKDKLRALLGKGLRFDEGRAVCFSS
EKSDKATRAEHGIDNASAWLGRPVPEVYSAALSEFVFAAGVKLLREFRPD
IMYLTTTDYVQHKYAPGVPEANSFYEMFDRYLAELDGLGAAIVVTADHGM
KPKHKADGSPDVIYVQDLLDEWLGKDAARVILPITDPYVVHHGALGSFAT
AYLPDGCDRSEIMARLKAIQGVDVVLGREEACRRFELPEDRIGDIVLVSS
ENKTLGTSEHRHDLAALDEPLRSHGGLTEQEVPFIVNRVLPELPNAPRLR
NFDAFFYAVTAAA
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 chain3t01 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t01 Structural and mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D211 H215 H377
Binding residue
(residue number reindexed from 1)		D208 H212 H374
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047400 phosphonoacetate hydrolase activity
GO:0047429 nucleoside triphosphate diphosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:3t01, PDBe:3t01, PDBj:3t01
PDBsum3t01
PubMed22035792
UniProtQ92UV8

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