Structure of PDB 3n2c Chain A Binding Site BS03

Receptor Information
>3n2c Chain A (length=408) Species: 32644 (unidentified) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TITVLQGGNVLDLERGVLLEHHHVVIDGERIVEVTDRPVDLPNAQAIDVR
GKTVMPGFIDCHVHVLASNANLGVNATQPNILAAIRSLPILDAMLSRGFT
SVRDAGGADWSLMQAVETGLVSGPRIFPSGKALSQTGGHGDFRPRGDLLE
PCSCCFRTGAIARVVDGVEGVRLAVREEIQKGATQIKIMASGGVASPTDP
IANTQYSEDEIRAIVDEAEAANTYVMAHAYTGRAIARAVRCGVRTIEHGN
LVDEAAAKLMHEHGAFVVPTLVTYDALAKHGAEFGMPPESVAKVASVQQK
GRESLEIYANAGVKMGFGSDLLGEMHAFQSGEFRIRAEVLGNLEALRSAT
TVAAEIVNMQGQLGVIAVGAIADLVVLDGNPLEDIGVVADEGARVEYVLQ
RGTLVKRQ
Ligand information
Ligand IDLWY
InChIInChI=1S/C6H12NO4P/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKeyIIXOSEXCIQDQTO-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.352C[P](O)(=O)N1CCC[C@H]1C(O)=O
CACTVS 3.352C[P](O)(=O)N1CCC[CH]1C(O)=O
OpenEye OEToolkits 1.7.0C[P@](=O)(N1CCC[C@H]1C(=O)O)O
OpenEye OEToolkits 1.7.0CP(=O)(N1CCCC1C(=O)O)O
FormulaC6 H12 N O4 P
Name1-[(R)-hydroxy(methyl)phosphoryl]-L-proline
ChEMBL
DrugBank
ZINC
PDB chain3n2c Chain A Residue 427 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n2c Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily .
Resolution2.81 Å
Binding residue
(original residue number in PDB)		H65 H140 K188 V195 A196 Y231 H249 D321
Binding residue
(residue number reindexed from 1)		H64 H139 K187 V194 A195 Y230 H248 D320
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.12,Ki=7.5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3n2c, PDBe:3n2c, PDBj:3n2c
PDBsum3n2c
PubMed20604542
UniProtQ393A1

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