Structure of PDB 2v7x Chain B Binding Site BS04

Receptor Information
>2v7x Chain B (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
AREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVS
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 chain2v7x Chain B Residue 1601 [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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PDB2v7x Mechanism of enzymatic fluorination in Streptomyces cattleya.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		D16 W50 Y77 P78 T80 T155 F156 Y157 A158
Binding residue
(residue number reindexed from 1)		D9 W43 Y70 P71 T73 T148 F149 Y150 A151
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:2v7x, PDBe:2v7x, PDBj:2v7x
PDBsum2v7x
PubMed17985882
UniProtQ70GK9|FLA_STRCT Fluorinase (Gene Name=flA)

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