Structure of PDB 1j0x Chain R Binding Site BS01

Receptor Information
>1j0x Chain R (length=332) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKVGVNGFGRIGRLVTRAAFNSGKVDVVAINDPFIDLHYMVYMFQYDSTH
GKFHGTVKAENGKLVINGKAITIFQERDPANIKWGDAGAEYVVESTGVFT
TMEKAGAHLKGGAKRVIISAPSADAPMFVMGVNHEKYDNSLKIVSNASCT
TNCLAPLAKVIHDHFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGAA
QNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTPNVSVVDLTCRLEKAA
KYDDIKKVVKQASEGPLKGILGYTEDQVVSCDFNSDTHSSTFDAGAGIAL
NDHFVKLISWYDNEFGYSNRVVDLMVHMASKE
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain1j0x Chain R Residue 2336 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1j0x Structure of rabbit-muscle glyceraldehyde-3-phosphate dehydrogenase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F8 G9 R10 I11 D32 P33 T96 G97 S119 C149 Y317
Binding residue
(residue number reindexed from 1)		F8 G9 R10 I11 D32 P33 T96 G97 S119 C149 Y317
Annotation score4
Binding affinityMOAD: Kd=0.01uM
Enzymatic activity
Enzyme Commision number 1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).
2.6.99.-
Gene Ontology
Molecular Function
GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
GO:0005515 protein binding
GO:0008017 microtubule binding
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0016740 transferase activity
GO:0035605 peptidyl-cysteine S-nitrosylase activity
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
GO:0006417 regulation of translation
GO:0006915 apoptotic process
GO:0032481 positive regulation of type I interferon production
GO:0035606 peptidyl-cysteine S-trans-nitrosylation
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0045087 innate immune response
GO:0050821 protein stabilization
GO:0051402 neuron apoptotic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0015630 microtubule cytoskeleton
GO:0097452 GAIT complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1j0x, PDBe:1j0x, PDBj:1j0x
PDBsum1j0x
PubMed14646080
UniProtP46406|G3P_RABIT Glyceraldehyde-3-phosphate dehydrogenase (Gene Name=GAPDH)

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