Structure of PDB 2v7v Chain C Binding Site BS02

Receptor Information
>2v7v 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
SREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVS
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 chain2v7v Chain C Residue 1300 [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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PDB2v7v Mechanism of enzymatic fluorination in Streptomyces cattleya.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		D16 W50 Y77 P78 F156 S158
Binding residue
(residue number reindexed from 1)		D9 W43 Y70 P71 F149 S151
Annotation score5
Binding affinityMOAD: Ka=4550000M^-1
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:2v7v, PDBe:2v7v, PDBj:2v7v
PDBsum2v7v
PubMed17985882
UniProtQ70GK9|FLA_STRCT Fluorinase (Gene Name=flA)

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