Structure of PDB 8td2 Chain A

Receptor sequence

>8td2A (length=276) Species: 9606 (Homo sapiens)

SMSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDMDLATVSALRKMG
VKLTPHNKETVQHSDVLFLAVKPHIIPFILDEIGADIEDRHIVVSCAAGV
TISSIEKKLSAFRPAPRVIRCMTNTPVVVREGATVYATGTHAQVEDGRLM
EQLLSSVGFCTEVEEDLIDAVTGLSGSGPAYAFTALDALADGGVKMGLPR
RLAVRLGAQALLGAAKMLLHSEQHPGQLKDNVSSPGGATIHALHVLESGG
FRSLLINAVEASCIRTRELQSMADQE

3D structure

• PDB: 8td2 Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
• Chain: A
• Resolution: 1.65 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	NAI	A	G7 G9 Q10 L11 P35 L39 N56 A69 V70 P72 I78 C95 A96 A97 M121 T122 T124	G8 G10 Q11 L12 P36 L40 N57 A70 V71 P73 I79 C96 A97 A98 M122 T123 T125
BS02	ZPS	A	V231 S233 A237 T238	V232 S234 A238 T239

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:8td2, PDBe:8td2, PDBj:8td2
• PDBsum: 8td2
• PubMed: 39133178
• UniProt: P32322|P5CR1_HUMAN Pyrroline-5-carboxylate reductase 1, mitochondrial (Gene Name=PYCR1)