Structure of PDB 2uyy Chain A Binding Site BS01

Receptor Information

>2uyy Chain A (length=292) Species: 9606 (Homo sapiens)

SITPTDKKIGFLGLGLMGSGIVSNLLKMGHTVTVWNRTAEKCDLFIQEGA
RLGRTPAEVVSTCDITFACVSDPKAAKDLVLGPSGVLQGIRPGKCYVDMS
TVDADTVTELAQVIVSRGGRFLEAPVSGNQQLSNDGMLVILAAGDRGLYE
DCSSCFQAMGKTSFFLGEVGNAAKMMLIVNMVQGSFMATIAEGLTLAQVT
GQSQQTLLDILNQGQLASIFLDQKCQNILQGNFKPDFYLKYIQKDLRLAI
ALGDAVNHPTPMAAAANEVYKRAKALDQSDNDMSAVYRAYIH

Ligand information

• Ligand ID: NA7
• InChI: InChI=1S/C15H24N5O16P3/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(35-37(24,25)26)11(23)8(34-15)3-33-39(29,30)36-38(27,28)32-2-7-10(22)6(21)1-31-7/h4-8,10-12,15,21-23H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)(H2,24,25,26)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
• InChIKey: XDDBFIXGEVGCEU-AOOZFPJJSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]4OC[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(CO4)O)O)O)OP(=O)(O)O)N
  ACDLabs 10.04: O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(OP(=O)(O)O)C4O
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4OC[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O
• Formula: C15 H24 N5 O16 P3
• Name: [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
• ZINC: ZINC000058661303
• PDB chain: 2uyy Chain A Residue 1555

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2uyy The Structure of the Cytokine-Like Nuclear Factor N-Pac
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): G276 L277 M278 N297 R298 T299 V331 S332 A336 T362 F498 Y499 Y502 K505
• Binding residue (residue number reindexed from 1): G15 L16 M17 N36 R37 T38 V70 S71 A75 T101 F237 Y238 Y241 K244
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0050661 NADP binding
• GO:0051287 NAD binding

External links

• PDB: RCSB:2uyy, PDBe:2uyy, PDBj:2uyy
• PDBsum: 2uyy
• UniProt: Q49A26|GLYR1_HUMAN Cytokine-like nuclear factor N-PAC (Gene Name=GLYR1)