Structure of PDB 1gyq Chain A

Receptor sequence

>1gyqA (length=358) Species: 5665 (Leishmania mexicana)

APIKVGINGFGRIGRMVFQAICDQGLIGTEIDVVAVVDMSTNAEYFAYQM
KHDTVHGRPKYTVEAVKSSPSVETADVLVVNGHRIKCVKAQRNPADLPWG
KLGVDYVIESTGLFTDKLKAEGHIKGGAKKVVISAPASGGAKTIVMGVNQ
HEYSPASHHVVSNASCTTNCLAPIVHVLTKENFGIETGLMTTIHSYTATQ
KTVDGVSLKDWRGGRAAAVNIIPSTTGAAKAVGMVIPSTKGKLTGMSFRV
PTPDVSVVDLTFRATRDTSIQEIDKAIKKAAQTYMKGILGFTDEELVSAD
FINDNRSSVYDSKATLQNNLPGEKRFFKVVSWYDNEWAYSHRVVDLVRYM
AAKDAASS

3D structure

• PDB: 1gyq Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase.
• Chain: A
• Resolution: 3.4 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C166 H194
• Catalytic site (residue number reindexed from 1): C166 H194
• Enzyme Commision number: 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).

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	NBD	A	N8 G9 G11 R12 I13 D38 M39 Q91 R92 T111 L113 F114 S134 C166 A198 N335 Y339	N8 G9 G11 R12 I13 D38 M39 Q91 R92 T111 L113 F114 S134 C166 A198 N335 Y339

Gene Ontology

Molecular Function

• GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
• GO:0016491 oxidoreductase activity
• GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
• GO:0050661 NADP binding
• GO:0051287 NAD binding

Biological Process

• GO:0006006 glucose metabolic process
• GO:0006096 glycolytic process

Cellular Component

• GO:0005829 cytosol
• GO:0020015 glycosome

External links

• PDB: RCSB:1gyq, PDBe:1gyq, PDBj:1gyq
• PDBsum: 1gyq
• PubMed: 10200252
• UniProt: Q27890|G3PG_LEIME Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (Gene Name=GAPG)