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Receptor Information

>4o59 Chain R (length=332) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLHYMVYMFQYDSTH
GKFNGTVKAENGKLVINGKAITIFQERDPANIKWGDAGAEYVVESTGVFT
TMEKAGAHLKGGAKRVIISAPSADAPMFVMGVNHEKYNNTLKIVSNASCT
TNCLAPLAKVIHDHFGIVEGLMTTVHAITATQKTVDGPSGKLWRDGRGAA
QNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTPNVSVVDLTCRLEKPA
KYDEIKKVVKQASEGPLKGILGYTEDQVVSCDFNSDTHSSTFDAGAGIAL
NDHFVKLISWYDNEFGYSNRVVDLMVHMASKE

Ligand ID

NAD

InChI

InChI=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

InChIKey

BAWFJGJZGIEFAR-NNYOXOHSSA-N

SMILES

Software	SMILES
CACTVS 3.341	NC(=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 1.5.0	c1cc(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 3.341	NC(=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 1.5.0	c1cc(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

Formula

C21 H27 N7 O14 P2

Name

NICOTINAMIDE-ADENINE-DINUCLEOTIDE

PDB chain

4o59 Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4o59 High-resolution crystal structures of the photoreceptor glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with three and four-bound NAD molecules.
Resolution	1.52 Å
Binding residue (original residue number in PDB)	G7 G9 R10 I11 D32 P33 F34 T96 G97 F99 S119 C149 A180 N313 Y317
Binding residue (residue number reindexed from 1)	G7 G9 R10 I11 D32 P33 F34 T96 G97 F99 S119 C149 A180 N313 Y317
Annotation score	4

Enzyme Commision number

1.2.1.12: glyceraldehyde-3-phosphate dehydrogenase (phosphorylating).
2.6.99.-

	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
GO:0097718	disordered domain specific 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
GO:0099162	regulation of neurotransmitter loading into synaptic vesicle

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005856	cytoskeleton
GO:0015630	microtubule cytoskeleton
GO:0097452	GAIT complex
GO:0098850	extrinsic component of synaptic vesicle membrane

PDB	RCSB:4o59, PDBe:4o59, PDBj:4o59
PDBsum	4o59
PubMed	25176140
UniProt	P10096\|G3P_BOVIN Glyceraldehyde-3-phosphate dehydrogenase (Gene Name=GAPDH)

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Structure of PDB 4o59 Chain R Binding Site BS01