Structure of PDB 4kyk Chain B

Receptor sequence

>4kykB (length=177) Species: 10090 (Mus musculus)

SSGLTDETAFSCCSDPDPSTKDFLLQQTMLRIKDPKKSLDFYTRVLGLTL
LQKLDFPAMKFSLYFLAYEDKNDIPKDKSEKTAWTFSRKATLELTHNWGT
EDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGK
MKGLAFIQDPDGYWIEILNPNKIATII

3D structure

• PDB: 4kyk Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
• Chain: B
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Q34 E100 H127 E173
• Catalytic site (residue number reindexed from 1): Q27 E93 H120 E166
• Enzyme Commision number: 4.4.1.5: lactoylglutathione lyase.

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	ZN	B	Q34 E100	Q27 E93
BS02	ZN	B	H127 E173	H120 E166
BS03	IMN	B	K151 K157 M158 L161 F163	K144 K150 M151 L154 F156	MOAD: Ki=18uM PDBbind-CN: -logKd/Ki=4.74,Ki=18uM

Gene Ontology

Molecular Function

• GO:0004462 lactoylglutathione lyase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006357 regulation of transcription by RNA polymerase II
• GO:0006749 glutathione metabolic process
• GO:0009438 methylglyoxal metabolic process
• GO:0019243 methylglyoxal catabolic process to D-lactate via S-lactoyl-glutathione
• GO:0030316 osteoclast differentiation
• GO:0043066 negative regulation of apoptotic process

Cellular Component

• GO:0005654 nucleoplasm
• GO:0005829 cytosol
• GO:0005886 plasma membrane

External links

• PDB: RCSB:4kyk, PDBe:4kyk, PDBj:4kyk
• PDBsum: 4kyk
• PubMed: 23857942
• UniProt: Q9CPU0|LGUL_MOUSE Lactoylglutathione lyase (Gene Name=Glo1)