Structure of PDB 1m67 Chain A Binding Site BS01

Receptor Information
>1m67 Chain A (length=346) Species: 5665 (Leishmania mexicana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDELLYLNKAVVFGSGAFGTALAMVLSKKCREVCVWHMNEEEVRLVNEKR
ENVLFLKGVQLASNITFTSDVEKAYNGAEIILFVIPTQFLRGFFEKSGGN
LIAYAKEKQVPVLVCTKGIERSTLKFPAEIIGEFLPSPLLSVLAGPSFAI
EVATGVFTCVSIASADINVARRLQRIMSTGDRSFVCWATTDTVGCEVASA
VKNVLAIGSGVANGLGMGLNARAALIMRGLLEIRDLTAALGGDGSAVFGL
AGLGDLQLTCSSELSRNFTVGKKLGKGLPIEEIQRAVAEGVATADPLMRL
AKQLKVKMPLCHQIYEIVYKKKNPRDALADLLSCGLQDEGLPPLFK
Ligand information
Ligand IDBOA
InChIInChI=1S/C5H3BrN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
InChIKeyONXCBJOMYNPZNI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1nc(O)c2c(n1)ncn2
CACTVS 3.341Oc1nc(Br)nc2nc[nH]c12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)nc(nc2O)Br
FormulaC5 H3 Br N4 O
Name2-BROMO-6-HYDROXY-PURINE
ChEMBL
DrugBankDB04283
ZINCZINC000009974955
PDB chain1m67 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m67 Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W44 F97
Binding residue
(residue number reindexed from 1)		W36 F89
Annotation score1
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(+)).
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1m67, PDBe:1m67, PDBj:1m67
PDBsum1m67
PubMed12445769
UniProtP90551|GPDA_LEIME Glycerol-3-phosphate dehydrogenase [NAD(+)], glycosomal (Gene Name=GPD)

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