Structure of PDB 2qgi Chain B Binding Site BS02

Receptor Information
>2qgi Chain B (length=248) Species: 1075 (Fuscovulum blasticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPVPTYVQDKDESTLMFSVCSLVRDQAKYDRLLESFERFGFTPDKAEFLA
ADNREGNQFHGFSWHKQMLPRCKGRYVIFCHEDVELVDRGYDDLVAAIEA
LEEADPKWLVAGVAGSPWRPLNHSVTAQALHISDVFGNDRRRGNVPCRVE
SLDECFLLMRRLKPVLNSYDMQGFHYYGADLCLQAEFLGGRAYAIDFHLH
HYGRAIADENFHRLRQEMAQKYRRWFPGRILHCVTGRVALGGGWYEAR
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain2qgi Chain B Residue 800 [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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PDB2qgi Crystal structure of a protein, structurally related to glycosyltransferases, encoded in the Rhodobacter blasticus atp operon.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		L23 R25 N54 N58 H82 E83 D84 F175 H202 G204 R205
Binding residue
(residue number reindexed from 1)		L22 R24 N53 N57 H81 E82 D83 F174 H201 G203 R204
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2qgi, PDBe:2qgi, PDBj:2qgi
PDBsum2qgi
PubMed18067873
UniProtP05449|YAT6_FUSBL ATP synthase subunits region ORF 6

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