Structure of PDB 2hjp Chain A Binding Site BS01

Receptor Information
>2hjp Chain A (length=283) Species: 218557 (Variovorax sp. Pal2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKNQALRAALDSGRLFTAMAAHNPLVAKLAEQAGFGGIWGSGFELSASY
AVPDANILSMSTHLEMMRAIASTVSIPLIADIDTGFGNAVNVHYVVPQYE
AAGASAIVMEDKTFPKDTQELVRIEEFQGKIAAATAARADRDFVVIARVE
ALIAGLGQQEAVRRGQAYEEAGADAILIHSRQKTPDEILAFVKSWPGKVP
LVLVPTAYPQLTEADIAALSKVGIVIYGNHAIRAAVGAVREVFARIRRDG
GIREVDAALPSVKEIIELQGDERMRAVEARYLK
Ligand information
Ligand IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain2hjp Chain A Residue 293 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2hjp Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E32 S75
Binding residue
(residue number reindexed from 1)		E32 S75
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W40 S42 G43 F44 D54 D81 D83 V108 E110 K116 T118 R155 H186 V211
Catalytic site (residue number reindexed from 1) W40 S42 G43 F44 D54 D81 D83 V108 E110 K116 T118 R148 H179 V204
Enzyme Commision number 3.11.1.3: phosphonopyruvate hydrolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0033978 phosphonopyruvate hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2hjp, PDBe:2hjp, PDBj:2hjp
PDBsum2hjp
PubMed16981709
UniProtQ84G06|PPHA_VARSP Phosphonopyruvate hydrolase (Gene Name=pphA)

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