Structure of PDB 7mwv Chain A Binding Site BS02

Receptor Information
>7mwv Chain A (length=499) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSVSRAAITAAYRRPETEAVSMLLEQARLPQPVAEQAHKLAYQLADKLRN
QKNASGRAGMVQGLLQEFSLSSQEGVALMCLAEALLRIPDKATRDALIRD
KILFVNAATWGLLFASLSRSLNRIIGKSGEPLIRKGVDMAMRLMGEQFVT
GETIAEALANARKLEEKGFRYSYDMLGEAALTAADAQAYMVSYQQAIHAI
GKASNGRGIYEGPGISIKLSALHPRYSRAQYDRVMEELYPRLKSLTLLAR
QYDIGINIDAEESDRLEISLDLLEKLCFEPELAGWNGIGFVIQAYQKRCP
LVIDYLIDLATRSRRRLMIRLVKGAYWDSEIKRAQMDGLEGYPVYTRKVY
TDVSYLACAKKLLAVPNLIYPQFATHNAHTLAAIYQLAGQNYYPGQYEFQ
CLHGMGEPLYEQVTGKVADGKLNRPCRIYAPVGTHETLLAYLVRRLLENG
ANTSFVNRIADTSLPLDELVADPVTAVEKLAQQEGQTGLPHPKIPLPRD
Ligand information
Ligand IDZPJ
InChIInChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
InChIKeyYMGUBTXCNDTFJI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC1C(=O)O
ACDLabs 12.01O=C(O)C1CC1
CACTVS 3.385OC(=O)C1CC1
FormulaC4 H6 O2
Namecyclopropanecarboxylic acid
ChEMBLCHEMBL4649900
DrugBank
ZINCZINC000001587860
PDB chain7mwv 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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PDB7mwv Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		K329 Y540 Y552 R555 R556
Binding residue
(residue number reindexed from 1)		K218 Y429 Y441 R444 R445
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
View graph for
Biological Process
External links
PDB RCSB:7mwv, PDBe:7mwv, PDBj:7mwv
PDBsum7mwv
PubMed35018940
UniProtP09546|PUTA_ECOLI Bifunctional protein PutA (Gene Name=putA)

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