Structure of PDB 4j9x Chain A Binding Site BS01

Receptor Information
>4j9x Chain A (length=310) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKITVIDSHTGGEPTRLVIDGFPDLGRGSMAERLQILEREHDQWRRACV
LEPRGSDVLVGALLCQPQAGDACAGVIFFNNSGYLGMCGHGTIGLVRSLY
HLGRIDQGVHRIETPVGTVEATLHEDLSVSVRNVPAYRYRTQVMLQLPGH
GKVHGDIAWGGNWFFLISDHGQRIALDNVEALTHYTRDVRQALEAAGITG
AEGGVIDHIELFADDPQADSRNFVLCPGKAYDRSPCGTGTSAKLACLAAD
GKLAPGQAWRQASVIGSQFSAHYEKVGEQLIPILRGSAHISAEATLLLDD
SDPFVWGIGS
Ligand information
Ligand IDHYP
InChIInChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKeyPMMYEEVYMWASQN-DMTCNVIQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(CNC1C(=O)O)O
OpenEye OEToolkits 1.5.0C1[C@H](CN[C@@H]1C(=O)O)O
CACTVS 3.341O[CH]1CN[CH](C1)C(O)=O
CACTVS 3.341O[C@H]1CN[C@@H](C1)C(O)=O
ACDLabs 10.04O=C(O)C1NCC(O)C1
FormulaC5 H9 N O3
Name4-HYDROXYPROLINE;
HYDROXYPROLINE
ChEMBLCHEMBL352418
DrugBankDB08847
ZINCZINC000000901791
PDB chain4j9x Chain A Residue 401 [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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PDB4j9x Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with trans-4-hydroxy-l-proline
Resolution1.7 Å
Binding residue
(original residue number in PDB)		C88 G89 H90 H208 C226 D232 C236 G237 T238
Binding residue
(residue number reindexed from 1)		C88 G89 H90 H208 C226 D232 C236 G237 T238
Annotation score5
Enzymatic activity
Enzyme Commision number 5.1.1.8: 4-hydroxyproline epimerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0047580 4-hydroxyproline epimerase activity

View graph for
Molecular Function
External links
PDB RCSB:4j9x, PDBe:4j9x, PDBj:4j9x
PDBsum4j9x
PubMed
UniProtQ4KGU2|4HYPE_PSEF5 4-hydroxyproline 2-epimerase (Gene Name=PFL_1412)

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