Structure of PDB 3e2q Chain A Binding Site BS02

Receptor Information
>3e2q Chain A (length=468) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSVSRAAITAAYRRPETEAVSMLLEQARLPQPVAEQAHKLAYQLADKLRN
QKNASGRAGMVQGLLQEFSLSSQEGVALMCLAEALLRIPDKATRDALGEP
LIRKGVDMAMRLMGEQFVTGETIAEALANARKLEEKGFRYSYDMLGEAAL
TAADAQAYMVSYQQAIHAIGKASNGRGIYEGPGISIKLSALHPRYSRAQY
DRVMEELYPRLKSLTLLARQYDIGINIDAEESDRLEISLDLLEKLCFEPE
LAGWNGIGFVIQAYQKRCPLVIDYLIDLATRSRRRLMIRLVKGAYWDSEI
KRAQMDGLEGYPVYTRKVYTDVSYLACAKKLLAVPNLIYPQFATHNAHTL
AAIYQLAGQNYYPGQYEFQCLHGMGEPLYEQVTGKVADGKLNRPCRISAP
VGTHETLLAYLVRRLLENGANTSFVNRIADTSLPLDELVADPVTAVEKLA
QQEGQTGLPHPKIPLPRD
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 chain3e2q Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3e2q A conserved active site tyrosine residue of proline dehydrogenase helps enforce the preference for proline over hydroxyproline as the substrate.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D285 K329 D370 Y552 R555 R556
Binding residue
(residue number reindexed from 1)		D143 K187 D228 Y410 R413 R414
Annotation score2
Enzymatic activity
Enzyme Commision number 1.2.1.88: L-glutamate gamma-semialdehyde dehydrogenase.
1.5.5.2: proline dehydrogenase.
Gene Ontology
Molecular Function
GO:0003842 1-pyrroline-5-carboxylate dehydrogenase activity
GO:0004657 proline dehydrogenase activity
Biological Process
GO:0006562 proline catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3e2q, PDBe:3e2q, PDBj:3e2q
PDBsum3e2q
PubMed19140736
UniProtP09546|PUTA_ECOLI Bifunctional protein PutA (Gene Name=putA)

[Back to BioLiP]