Structure of PDB 1n1g Chain A

Receptor sequence

>1n1gA (length=346) Species: 5665 (Leishmania mexicana)

KDELLYLNKAVVFGSGAFGTALAMVLSKKCREVCVWHMNEEEVRLVNEKR
ENVLFLKGVQLASNITFTSDVEKAYNGAEIILFVIPTQFLRGFFEKSGGN
LIAYAKEKQVPVLVCTKGIERSTLKFPAEIIGEFLPSPLLSVLAGPSFAI
EVATGVFTCVSIASADINVARRLQRIMSTGDRSFVCWATTDTVGCEVASA
VKNVLAIGSGVANGLGMGLNARAALIMRGLLEIRDLTAALGGDGSAVFGL
AGLGDLQLTCSSELSRNFTVGKKLGKGLPIEEIQRAVAEGVATADPLMRL
AKQLKVKMPLCHQIYEIVYKKKNPRDALADLLSCGLQDEGLPPLFK

3D structure

• PDB: 1n1g Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
• Chain: A
• Resolution: 2.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K210 T267
• Catalytic site (residue number reindexed from 1): K202 T259
• Enzyme Commision number: 1.1.1.8: glycerol-3-phosphate dehydrogenase (NAD(+)).

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	BCP	A	M225 R336 L339	M217 R325 L328	MOAD: ic50=5mM PDBbind-CN: -logKd/Ki=2.30,IC50~5mM
BS02	BCP	A	W44 M46 F97	W36 M38 F89	MOAD: ic50=5mM PDBbind-CN: -logKd/Ki=2.30,IC50~5mM

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0051287 NAD binding
• GO:0141152 glycerol-3-phosphate dehydrogenase (NAD+) activity

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006072 glycerol-3-phosphate metabolic process
• GO:0006116 NADH oxidation
• GO:0046168 glycerol-3-phosphate catabolic process

Cellular Component

• GO:0005829 cytosol
• GO:0020015 glycosome

External links

• PDB: RCSB:1n1g, PDBe:1n1g, PDBj:1n1g
• PDBsum: 1n1g
• PubMed: 12445769
• UniProt: P90551|GPDA_LEIME Glycerol-3-phosphate dehydrogenase [NAD(+)], glycosomal (Gene Name=GPD)