Structure of PDB 8kar Chain A Binding Site BS02

Receptor Information
>8kar Chain A (length=414) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSNLLVQQVKKLYKVGELLGLDSETIDVLSQPERVMQVKIQIRSSDGKLR
TFIGWRSQHNSALGPYKGGVRYGPNVTQDEVIALSMIMTWKNSLLLLPYG
GGKGGIRVDPKKLTLKELEDLSRKYVQLIHKYLGSDVDIPAPDINTNPQT
MAWFLDEYIKITGKVDFAVFTGKPSELGGIGVRLYSTGLGVATIARDAAN
KFIGGIEGSRVIIQGFGNVGFFTAKFLSEMGAKIIGVSDIGGGVINENGI
DVNRALEVVQSTGSVVNYLEGKKVTNEELLISDCDILIPAAVENVINKFN
APKVRAKLIVEGANGPLTADADEIMKQRGVIVIPDILANAGGVVGSYVEW
ANNRSGGIISDEEAKKLIVDRMINAFNTLYDFHKRKFADQDLRTVAMALA
VDRVVGAMKARGLL
Ligand information
Ligand IDNAD
InChIInChI=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
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
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)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(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 3.341NC(=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 1.5.0c1cc(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)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain8kar Chain A Residue 502 [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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PDB8kar Structure of glutamate dehydrogenase-AKG
Resolution1.73 Å
Binding residue
(original residue number in PDB)		R76 D148 I149 R188 T192 F221 G222 N223 V224 D244 I245 N281 A296 A318 N319 N344
Binding residue
(residue number reindexed from 1)		R71 D143 I144 R183 T187 F216 G217 N218 V219 D239 I240 N276 A291 A313 N314 N339
Annotation score4
External links