Structure of PDB 5uau Chain A Binding Site BS01
Receptor Information
>5uau Chain A (length=274) Species:
9606
(Homo sapiens) [
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MSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDMDLATVSALRKMGV
KLTPHNKETVQHSDVLFLAVKPHIIPFILDEIGADIEDRHIVVSCAAGVT
ISSIEKKLSAFRPAPRVIRCMTNTPVVVREGATVYATGTHAQVEDGRLME
QLLSSVGFCTEVEEDLIDAVTGLSGSGPAYAFTALDALADGGVKMGLPRR
LAVRLGAQALLGAAKMLLHSEQHPGQLKDNVSSPGGATIHALHVLESGGF
RSLLINAVEASCIRTRELQSMADQ
Ligand information
Ligand ID
PRO
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey
ONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1C[C@H](NC1)C(=O)O
CACTVS 3.341
OC(=O)[C@@H]1CCCN1
CACTVS 3.341
OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0
C1CC(NC1)C(=O)O
ACDLabs 10.04
O=C(O)C1NCCC1
Formula
C5 H9 N O2
Name
PROLINE
ChEMBL
CHEMBL54922
DrugBank
DB00172
ZINC
ZINC000000895360
PDB chain
5uau Chain A Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
5uau
Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
S233 A237 T238
Binding residue
(residue number reindexed from 1)
S233 A237 T238
Annotation score
5
Enzymatic activity
Enzyme Commision number
1.5.1.2
: pyrroline-5-carboxylate reductase.
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:5uau
,
PDBe:5uau
,
PDBj:5uau
PDBsum
5uau
PubMed
28258219
UniProt
P32322
|P5CR1_HUMAN Pyrroline-5-carboxylate reductase 1, mitochondrial (Gene Name=PYCR1)
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