Structure of PDB 2v7w Chain C Binding Site BS02

Receptor Information
>2v7w Chain C (length=291) Species: 29303 (Streptantibioticus cattleyicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGAR
YIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSG
AGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFY
GREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVS
AIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADA
GEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEA
Ligand information
Ligand ID5FD
InChIInChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKeyQPVLKMICBYRPSX-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CF)O)O)N
ACDLabs 12.01Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CF)[CH](O)[CH]3O
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O
FormulaC10 H12 F N5 O3
Name5'-FLUORO-5'-DEOXYADENOSINE
ChEMBLCHEMBL1212979
DrugBankDB03716
ZINCZINC000005941240
PDB chain2v7w Chain C Residue 1299 [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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PDB2v7w Mechanism of enzymatic fluorination in Streptomyces cattleya.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F213 N215 F254 R277 A279
Binding residue
(residue number reindexed from 1)		F206 N208 F247 R270 A272
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.63: adenosyl-fluoride synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0033846 adenosyl-fluoride synthase activity

View graph for
Molecular Function
External links
PDB RCSB:2v7w, PDBe:2v7w, PDBj:2v7w
PDBsum2v7w
PubMed17985882
UniProtQ70GK9|FLA_STRCT Fluorinase (Gene Name=flA)

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