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Receptor Information

>8hrt Chain B (length=336) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TIRVGINGFGRIGRNFFRAVLERSDDLEVVAVNDSKDNKTLSTLLKFDSI
MGRLGQEVEYDDDSITVGGKRIAVYAERDPKNLDWAAHNVDIVIESTGVF
TDANAAKAHIEAGAKKVIISAPASNEDATFVYGVNHESYDPENHNVISGA
SCTTNCLAPMAKVLNDKFGIENGLMTTVHAYTGDQRLHDASHRDLRRARA
AAVNIVPTSTGAAKAVALVLPELKGKLDGYALRVPVITGSATDLTFNTKS
EVTVESINAAIKEAAVGEFGETLAYSEEPLVSTDIVHDSHGSIFDAGLTK
VSGNTVKVVSWYDNEWGYTCQLLRLTELVASKLLEH

Ligand ID

NAP

InChI

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

XJLXINKUBYWONI-NNYOXOHSSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)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[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
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[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]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)OP(=O)(O)O)O)O)O)C(=O)N

Formula

C21 H28 N7 O17 P3

Name

NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE

PDB chain

8hrt Chain B 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	8hrt Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor Specificity.
Resolution	1.99 Å
Binding residue (original residue number in PDB)	F10 G11 R12 I13 D35 S36 S97 T98 G99 S121 C153 N315 Y319
Binding residue (residue number reindexed from 1)	F9 G10 R11 I12 D34 S35 S96 T97 G98 S120 C152 N314 Y318
Annotation score	3

Enzyme Commision number

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

	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:0050661	NADP binding
GO:0051287	NAD binding

	Biological Process
GO:0006006	glucose metabolic process
GO:0006096	glycolytic process

	Cellular Component
GO:0005737	cytoplasm

PDB	RCSB:8hrt, PDBe:8hrt, PDBj:8hrt
PDBsum	8hrt
PubMed	37935620
UniProt	Q01651\|G3P_CORGL Glyceraldehyde-3-phosphate dehydrogenase (Gene Name=gap)

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Structure of PDB 8hrt Chain B Binding Site BS01