Structure of PDB 7mwu Chain A Binding Site BS02

Receptor Information
>7mwu 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 IDZPM
InChIInChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
InChIKeyTXWOGHSRPAYOML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC(C1)C(=O)O
ACDLabs 12.01O=C(O)C1CCC1
CACTVS 3.385OC(=O)C1CCC1
FormulaC5 H8 O2
Namecyclobutanecarboxylic acid
ChEMBLCHEMBL3560137
DrugBank
ZINCZINC000001673440
PDB chain7mwu Chain A Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mwu Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Resolution1.69 Å
Binding residue
(original residue number in PDB)		K329 L513 Y540 Y552 R555 R556
Binding residue
(residue number reindexed from 1)		K218 L402 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
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Biological Process
External links
PDB RCSB:7mwu, PDBe:7mwu, PDBj:7mwu
PDBsum7mwu
PubMed35018940
UniProtP09546|PUTA_ECOLI Bifunctional protein PutA (Gene Name=putA)

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