Structure of PDB 3cif Chain B Binding Site BS01

Receptor Information
>3cif Chain B (length=338) Species: 5807 (Cryptosporidium parvum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATLGINGFGRIGRLVLRACMERNDITVVAINDPFMDVEYMAYLLKYDSV
HGNFNGTVEVSGKDLCINGKVVKVFQAKDPAEIPWGASGAQIVCESTGVF
TTEEKASLHLKGGAKKVIISAPPKDNVPMYVMGVNNTEYDPSKFNVISNA
SSTTNCLAPLAKIINDKFGIVEGLMTTVHSLTANQLTVDGPSKGGKDWRA
GRCAGNNIIPASTGAAKAVGKVIPALNGKLTGMAIRVPTPDVSVVDLTCK
LAKPASIEEIYQAVKEASNGPMKGIMGYTSDDVVSTDFIGCKYSSILDKN
ACIALNDSFVKLISWYDNESGYSNRLVDLAVYVASRGL
Ligand information
Ligand IDG3H
InChIInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyLXJXRIRHZLFYRP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](C=O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0C(C(C=O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)C=O
ACDLabs 12.01O=P(OCC(O)C=O)(O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)C=O
FormulaC3 H7 O6 P
NameGLYCERALDEHYDE-3-PHOSPHATE
ChEMBLCHEMBL1232918
DrugBankDB02263
ZINCZINC000003869936
PDB chain3cif Chain B Residue 1338 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cif An unexpected phosphate binding site in Glyceraldehyde 3-Phosphate Dehydrogenase: Crystal structures of apo, holo and ternary complex of Cryptosporidium parvum enzyme
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S152 S153 T154 H180 T214 G215 R237
Binding residue
(residue number reindexed from 1)		S151 S152 T153 H179 T213 G214 R236
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S153 H180
Catalytic site (residue number reindexed from 1) S152 H179
Enzyme Commision number 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
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:0042802 identical protein binding
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3cif, PDBe:3cif, PDBj:3cif
PDBsum3cif
PubMed19243605
UniProtQ7YYQ9

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