Structure of PDB 4jnz Chain A Binding Site BS02

Receptor Information
>4jnz Chain A (length=493) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQSVSRAAITAAYRRPETEAVSMLLEQARLPQPVAEQAHKLAYQLADKLR
NQKNASGRAGMVQGLLQEFSLSSQEGVALMCLAEALLRIPDKATRDALIR
DLFVNAATWGLLFASLSRSLNRIIPLIRKGVDMAMRLMGEQFVTGETIAE
ALANARKLEEKGFRYSYDMLGEAALTAADAQAYMVSYQQAIHAIGKASNG
RGIYEGPGISIKLSALHPRYSRAQYDRVMEELYPRLKSLTLLARQYDIGI
NINAEESDRLEISLDLLEKLCFEPELAGWNGIGFVIQAYQKRCPLVIDYL
IDLATRSRRRLMIRLVKGAYWDSEIKRAQMDGLEGYPVYTRKVYTDVSYL
ACAKKLLAVPNLIYPQFATHNAHTLAAIYQLAGQNYYPGQYEFQCLHGMG
EPLYEQVTGKVADGKLNRPCRIYAPVGTHETLLAYLVRRLLENGANTSFV
NRIADTSLPLDELVADPVTAVEKLAQQEGQTGLPHPKIPLPRD
Ligand information
Ligand IDTFB
InChIInChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKeyUJJLJRQIPMGXEZ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(OC1)C(=O)O
ACDLabs 10.04O=C(O)C1OCCC1
OpenEye OEToolkits 1.5.0C1C[C@H](OC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCO1
CACTVS 3.341OC(=O)[CH]1CCCO1
FormulaC5 H8 O3
NameTETRAHYDROFURAN-2-CARBOXYLIC ACID
ChEMBL
DrugBank
ZINCZINC000002164321
PDB chain4jnz Chain A Residue 2002 [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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PDB4jnz Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Resolution1.851 Å
Binding residue
(original residue number in PDB)		A436 Y540 R555 R556
Binding residue
(residue number reindexed from 1)		A319 Y423 R438 R439
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4jnz, PDBe:4jnz, PDBj:4jnz
PDBsum4jnz
PubMed23713611
UniProtP09546|PUTA_ECOLI Bifunctional protein PutA (Gene Name=putA)

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