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Receptor Information

>8xcp Chain A (length=415) Species: 49899 (Thermococcus profundus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DPFEMAVKQLERAAQYMDISEEALEWLKKPMRIVEVSVPIEMDDGSVKVF
TGFRVQHNWARGPTKGGIRWHPAETLSTVKALATWMTWKVAVVDLPYGGG
KGGIIVNPKELSEREQERLARAYIRAVYDVIGPWTDIPAPDVYTNPKIMG
WMMDEYETIMRRKGPAFGVITGKPLSIGGSLGRGTATAQGAIFTIREAAK
ALGIDLKGKKIAVQGYGNAGYYTAKLAKEQLGMTVVAVSDSRGGIYNPDG
LDPDEVLKWKREHGSVKDFPGATNITNEELLELEVDVLAPAAIEEVITEK
NADNIKAKIVAEVANGPVTPEADDILREKGILQIPDFLCNAGGVTVSYFE
WVQNINGYYWTEEEVREKLDKKMTKAFWEVYNTHKDKNIHMRDAAYVVAV
SRVYQAMKDRGWVKK

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

8xcp Chain A Residue 500 [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	8xcp CryoEM-sampling of metastable conformations appearing in cofactor-ligand association and catalysis of glutamate dehydrogenase
Resolution	2.64 Å
Binding residue (original residue number in PDB)	G219 Y220 G221 N222 D244 S245 N281 A296 I297
Binding residue (residue number reindexed from 1)	G215 Y216 G217 N218 D240 S241 N277 A292 I293
Annotation score	4

Enzyme Commision number

1.4.1.3: glutamate dehydrogenase [NAD(P)(+)].

	Molecular Function
GO:0004352	glutamate dehydrogenase (NAD+) activity
GO:0004353	glutamate dehydrogenase [NAD(P)+] activity
GO:0004354	glutamate dehydrogenase (NADP+) activity
GO:0016491	oxidoreductase activity
GO:0016639	oxidoreductase activity, acting on the CH-NH2 group of donors, NAD or NADP as acceptor

	Biological Process
GO:0006520	amino acid metabolic process
GO:0006538	glutamate catabolic process

PDB	RCSB:8xcp, PDBe:8xcp, PDBj:8xcp
PDBsum	8xcp
PubMed	38750092
UniProt	O74024\|DHE3_THEPR Glutamate dehydrogenase (Gene Name=gdhA)

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Structure of PDB 8xcp Chain A Binding Site BS01