Structure of PDB 8s3b Chain C Binding Site BS02

Receptor Information
>8s3b Chain C (length=410) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NALVATNRNFQRASRILGLDSKLEKSLLIPYREIKVECTIPKDDGSLVSY
VGFRIQHDNARGPMKGGIRYHPEVDPDEVNALAQLMTWKTAVVDIPYGGA
KGGIGCNPKDLSISELERLTRVFTQKIHDLIGIHRDVPAPDMGTNSQTMA
WILDEYSKFHGHSPAVVTGKPIDLGGSLGREAATGLGVVFATEALFAEYG
KSISDMTFAIQGFGNVGTWAAKAIFERGGKVVAVSDINGAISNPNGIDIA
ALLKHKAGNGSLKDFSGGDAMNPNDLLVHDCDVLIPCALGGVLNKENAND
VKAKFIIEAANHPTDPDADEILSKKGVIILPDVYANAGGVTVSYFEWVQN
IQGFMWDEEKVNQELKRYMTKAFNDIKANCKTHNCDLRMGAFTLGLNRVA
RATLLRGWEA
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 chain8s3b Chain C Residue 506 [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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PDB8s3b Legume-type glutamate dehydrogenase: Structure, activity, and inhibition studies.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T185 F214 G215 N216 V217 D237 I238 A289 L290 A311 N312 N337
Binding residue
(residue number reindexed from 1)		T184 F213 G214 N215 V216 D236 I237 A288 L289 A310 N311 N336
Annotation score4
External links