Structure of PDB 8tdd Chain C Binding Site BS02

Receptor Information
>8tdd Chain C (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQSMSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDMDLATVSALRK
MGVKLTPHNKETVQHSDVLFLAVKPHIIPFILDEIGADIEDRHIVVSCAA
GVTISSIEKKLSAFRPAPRVIRCMTNTPVVVREGATVYATGTHAQVEDGR
LMEQLLSSVGFCTEVEEDLIDAVTGLSGSGPAYAFTALDALADGGVKMGL
PRRLAVRLGAQALLGAAKMLLHSEQHPGQLKDNVSSPGGATIHALHVLES
GGFRSLLINAVEASCIRTRELQSMADQE
Ligand information
Ligand IDSJU
InChIInChI=1S/C6H6O3/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
InChIKeyVYSRZETUSAOIMP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)Cc1occc1
OpenEye OEToolkits 2.0.7c1cc(oc1)CC(=O)O
ACDLabs 12.01O=C(O)Cc1ccco1
FormulaC6 H6 O3
Name(furan-2-yl)acetic acid
ChEMBL
DrugBank
ZINCZINC000001841060
PDB chain8tdd Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tdd Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Resolution1.91 Å
Binding residue
(original residue number in PDB)		G236 A237 T238
Binding residue
(residue number reindexed from 1)		G239 A240 T241
Annotation score1
Gene Ontology
Molecular Function
GO:0004735 pyrroline-5-carboxylate reductase activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0042802 identical protein binding
Biological Process
GO:0006561 proline biosynthetic process
GO:0034599 cellular response to oxidative stress
GO:0051881 regulation of mitochondrial membrane potential
GO:0055129 L-proline biosynthetic process
GO:1903377 negative regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8tdd, PDBe:8tdd, PDBj:8tdd
PDBsum8tdd
PubMed39133178
UniProtP32322|P5CR1_HUMAN Pyrroline-5-carboxylate reductase 1, mitochondrial (Gene Name=PYCR1)

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