Structure of PDB 3vw9 Chain A

Receptor sequence
>3vw9A (length=176) Species: 9606 (Homo sapiens) [Search protein sequence]
GGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYTRVLGMTLI
QKCDFPIMKFSLYFLAYEDKNDIPKEKDEKIAWALSRKATLELTHNWGTE
DDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKM
KGLAFIQDPDGYWIEILNPNKMATLM
3D structure
PDB3vw9 Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors
ChainA
Resolution1.47 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) Q33 E99 H126 E172
Catalytic site (residue number reindexed from 1) Q26 E92 H119 E165
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 A Q33 E99 Q26 E92
BS02 HPJ A H126 M157 F162 E172 M179 M183 H119 M150 F155 E165 M172 M176 MOAD: ic50=0.011uM
PDBbind-CN: -logKd/Ki=7.96,IC50=0.011uM
BindingDB: Ki=11nM,IC50=11nM
BS03 ZN A H126 E172 H119 E165
BS04 HPJ A Q33 C60 L69 E99 Q26 C53 L62 E92 MOAD: ic50=0.011uM
PDBbind-CN: -logKd/Ki=7.96,IC50=0.011uM
BindingDB: Ki=11nM,IC50=11nM
Gene Ontology
Molecular Function
GO:0004462 lactoylglutathione lyase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006357 regulation of transcription by RNA polymerase II
GO:0006749 glutathione metabolic process
GO:0009438 methylglyoxal metabolic process
GO:0030316 osteoclast differentiation
GO:0043066 negative regulation of apoptotic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3vw9, PDBe:3vw9, PDBj:3vw9
PDBsum3vw9
PubMed23122816
UniProtQ04760|LGUL_HUMAN Lactoylglutathione lyase (Gene Name=GLO1)

[Back to BioLiP]