Structure of PDB 5ijz Chain B Binding Site BS01

Receptor Information
>5ijz Chain B (length=447) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTVDEQVSNYYDMLLKRNAGEPEFHQAVAEVLESLKIVLEKDPHYADYGL
IQRLCEPERQLIFRVPWVDDQGQVHVNRGFRVQFNSALGPYKGGLRFHPS
VNLGIVKFLGFEQIFKNSLTGLPIGGGKGGSDFDPKGKSDLEIMRFCQSF
MTELHRHIGEYRDVPAGDIGVGGREIGYLFGHYRRMANQHESGVLTGKGL
TWGGSLVRTEATGYGCVYFVSEMIKAKGESISGQKIIVSGSGNVATYAIE
KAQELGATVIGFSDSSGWVHTPNGVDVAKLREIKEVRRARVSVYADEVEG
ATYHTDGSIWDLKCDIALPCATQNELNGENAKTLADNGCRFVAEGANMPS
TPEAVEVFRERDIRFGPGKAANAGGVATSALEMQQNASRDSWSFEYTDER
LQVIMKNIFKTCAETAAEYGHENDYVVGANIAGFKKVADAMLAQGVI
Ligand information
Ligand IDNAP
InChIInChI=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
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(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 3.341NC(=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 3.341NC(=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[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]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)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain5ijz Chain B Residue 501 [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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PDB5ijz Structural insights into domain movement and cofactor specificity of glutamate dehydrogenase from Corynebacterium glutamicum
Resolution2.29 Å
Binding residue
(original residue number in PDB)		R96 K136 D168 I169 R208 T212 S241 G242 N243 V244 D264 S265 R290 A321 T322 A346 N347
Binding residue
(residue number reindexed from 1)		R96 K136 D168 I169 R208 T212 S241 G242 N243 V244 D264 S265 R290 A321 T322 A346 N347
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K128 D168
Catalytic site (residue number reindexed from 1) K128 D168
Enzyme Commision number 1.4.1.4: glutamate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
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:0006537 glutamate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5ijz, PDBe:5ijz, PDBj:5ijz
PDBsum5ijz
PubMed25727019
UniProtP31026|DHE4_CORGL NADP-specific glutamate dehydrogenase (Gene Name=gdh)

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