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Receptor Information

>8xd2 Chain A (length=416) Species: 49899 (Thermococcus profundus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IDPFEMAVKQLERAAQYMDISEEALEWLKKPMRIVEVSVPIEMDDGSVKV
FTGFRVQHNWARGPTKGGIRWHPAETLSTVKALATWMTWKVAVVDLPYGG
GKGGIIVNPKELSEREQERLARAYIRAVYDVIGPWTDIPAPDVYTNPKIM
GWMMDEYETIMRRKGPAFGVITGKPLSIGGSLGRGTATAQGAIFTIREAA
KALGIDLKGKKIAVQGYGNAGYYTAKLAKEQLGMTVVAVSDSRGGIYNPD
GLDPDEVLKWKREHGSVKDFPGATNITNEELLELEVDVLAPAAIEEVITE
KNADNIKAKIVAEVANGPVTPEADDILREKGILQIPDFLCNAGGVTVSYF
EWVQNINGYYWTEEEVREKLDKKMTKAFWEVYNTHKDKNIHMRDAAYVVA
VSRVYQAMKDRGWVKK

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

8xd2 Chain A Residue 501 [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	8xd2 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)	Y220 N222 D244 S245 K264 A296 I297
Binding residue (residue number reindexed from 1)	Y217 N219 D241 S242 K261 A293 I294
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:8xd2, PDBe:8xd2, PDBj:8xd2
PDBsum	8xd2
PubMed	38750092
UniProt	O74024\|DHE3_THEPR Glutamate dehydrogenase (Gene Name=gdhA)

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Structure of PDB 8xd2 Chain A Binding Site BS01