Structure of PDB 4lb0 Chain B Binding Site BS01

Receptor Information
>4lb0 Chain B (length=347) Species: 311402 (Allorhizobium ampelinum S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMRWKRMMQLLDVHCEGEIGKVAIGGVPKIPGDTVADQLHWLNTDPKGRE
LRHFLVLEPRGAPIGSVNLLLPAKDSRADAAFIILQPDQAHASSGSNSIC
VTTALLESGMIEMQEPETVVMLETAAGLVKAVAQCRDGHCDSVTLTMVPS
FVHELDAQIATESWGEIRFDLAYGGVFYALVDVRQLGLTIEPGNARRLVE
AGMLLKGEINQRIQVVHPDIPAISGVAYVMFRDEDPDGAVRTCTTMWPGR
VDRSPCGTGNSANLATLHARGRVKPGDSFLSRSIIGSQFTVGLQGLTTVA
GRSAVIPTITGRGFTYGIHQVALDAFDPLGGGFVLTDVWGAAAETIK
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 chain4lb0 Chain B Residue 402 [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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PDB4lb0 Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S93 G94 S95 M245 D251 C255 G256 T257
Binding residue
(residue number reindexed from 1)		S94 G95 S96 M246 D252 C256 G257 T258
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:4lb0, PDBe:4lb0, PDBj:4lb0
PDBsum4lb0
PubMed
UniProtB9JQV3|4HYPE_ALLAM 4-hydroxyproline 2-epimerase (Gene Name=Avi_0518)

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