Structure of PDB 8td8 Chain C

Receptor sequence

>8td8C (length=277) Species: 9606 (Homo sapiens)

QSMSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDMDLATVSALRKM
GVKLTPHNKETVQHSDVLFLAVKPHIIPFILDEIGADIEDRHIVVSCAAG
VTISSIEKKLSAFRPAPRVIRCMTNTPVVVREGATVYATGTHAQVEDGRL
MEQLLSSVGFCTEVEEDLIDAVTGLSGSGPAYAFTALDALADGGVKMGLP
RRLAVRLGAQALLGAAKMLLHSEQHPGQLKDNVSSPGGATIHALHVLESG
GFRSLLINAVEASCIRTRELQSMADQE

3D structure

• PDB: 8td8 Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
• Chain: C
• Resolution: 1.71 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	G8I	C	V231 S233 T238	V233 S235 T240
BS02	NAI	C	G7 A8 G9 Q10 L11 P35 N56 A69 V70 K71 P72 C95 A96 A97 T122 T124	G9 A10 G11 Q12 L13 P37 N58 A71 V72 K73 P74 C97 A98 A99 T124 T126
BS03	G8I	C	G175 S176	G177 S178

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

External links

• PDB: RCSB:8td8, PDBe:8td8, PDBj:8td8
• PDBsum: 8td8
• PubMed: 39133178
• UniProt: P32322|P5CR1_HUMAN Pyrroline-5-carboxylate reductase 1, mitochondrial (Gene Name=PYCR1)