Structure of PDB 3n2c Chain J Binding Site BS03

Receptor Information

>3n2c Chain J (length=408) Species: 32644 (unidentified)

TITVLQGGNVLDLERGVLLEHHHVVIDGERIVEVTDRPVDLPNAQAIDVR
GKTVMPGFIDCHVHVLASNANLGVNATQPNILAAIRSLPILDAMLSRGFT
SVRDAGGADWSLMQAVETGLVSGPRIFPSGKALSQTGGHGDFRPRGDLLE
PCSCCFRTGAIARVVDGVEGVRLAVREEIQKGATQIKIMASGGVASPTDP
IANTQYSEDEIRAIVDEAEAANTYVMAHAYTGRAIARAVRCGVRTIEHGN
LVDEAAAKLMHEHGAFVVPTLVTYDALAKHGAEFGMPPESVAKVASVQQK
GRESLEIYANAGVKMGFGSDLLGEMHAFQSGEFRIRAEVLGNLEALRSAT
TVAAEIVNMQGQLGVIAVGAIADLVVLDGNPLEDIGVVADEGARVEYVLQ
RGTLVKRQ

Ligand information

• Ligand ID: LWY
• InChI: InChI=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
• InChIKey: IIXOSEXCIQDQTO-YFKPBYRVSA-N
• SMILES:
  CACTVS 3.352: C[P](O)(=O)N1CCC[C@H]1C(O)=O
  CACTVS 3.352: C[P](O)(=O)N1CCC[CH]1C(O)=O
  OpenEye OEToolkits 1.7.0: C[P@](=O)(N1CCC[C@H]1C(=O)O)O
  OpenEye OEToolkits 1.7.0: CP(=O)(N1CCCC1C(=O)O)O
• Formula: C6 H12 N O4 P
• Name: 1-[(R)-hydroxy(methyl)phosphoryl]-L-proline
• PDB chain: 3n2c Chain J Residue 427

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3n2c Functional identification and structure determination of two novel prolidases from cog1228 in the amidohydrolase superfamily .
• Resolution: 2.81 Å
• Binding residue (original residue number in PDB): H65 H140 V195 A196 Y231 H249 D321
• Binding residue (residue number reindexed from 1): H64 H139 V194 A195 Y230 H248 D320
• Annotation score: 1

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

External links

• PDB: RCSB:3n2c, PDBe:3n2c, PDBj:3n2c
• PDBsum: 3n2c
• PubMed: 20604542
• UniProt: Q393A1