Structure of PDB 2vyv Chain D Binding Site BS01

Receptor Information
>2vyv Chain D (length=334) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKVGINGFGRIGRLVLRVCMEKGVRVVAVNDPFIDPEYMVYMFKYDSTH
GRYKGTVEHKNGRLVVDNLEINVFQCKEPKEIPWSSVGNPYVVEATGVYL
SIEAASGHISSGARRVIVTAPSPDAPMLVMGVNEKDYNPGSMTVVSNASC
TTNCLAPLAKVIHERFGIVEGLMTTVHAYTATQKTVDGPSKKDWRGGRGA
HQNIIPSSTGAAKAVGKVIPELNGKLTGMAFRVPTPNVSVVDLTCRLAQP
ASYTAIKEAVKAAAKGPMAGILAYTEDQVVSTDFNGDSHSSIFDAKAGIA
LNDNFVKLVSWYDNEYGYSHRVVDLLRYMFSREK
Ligand information
Ligand ID1GP
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyAWUCVROLDVIAJX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H](COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC(O)CO
CACTVS 3.341OC[CH](O)CO[P](O)(O)=O
CACTVS 3.341OC[C@H](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-1-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000003830895
PDB chain2vyv Chain D Residue 1334 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vyv Structure of Insoluble Rat Sperm Glyceraldehyde-3-Phosphate Dehydrogenase (Gapdh) Via Heterotetramer Formation with Escherichia Coli Gapdh Reveals Target for Contraceptive Design.
Resolution2.38 Å
Binding residue
(original residue number in PDB)
A149 H176 T179 T181 R231
Binding residue
(residue number reindexed from 1)
A150 H177 T180 T182 R232
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) C149 H176
Catalytic site (residue number reindexed from 1) C150 H177
Enzyme Commision number 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).
Gene Ontology
Molecular Function
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

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Molecular Function

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Biological Process
External links
PDB RCSB:2vyv, PDBe:2vyv, PDBj:2vyv
PDBsum2vyv
PubMed19542219
UniProtQ9ESV6|G3PT_RAT Glyceraldehyde-3-phosphate dehydrogenase, testis-specific (Gene Name=Gapdhs)

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