Structure of PDB 2c5b Chain C Binding Site BS03

Receptor Information
>2c5b 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 ID5F1
InChIInChI=1S/C10H12FN5O2/c11-2-6-5(17)1-7(18-6)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1
InChIKeyQKUCDAPGYBWICH-RRKCRQDMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CF)O3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(O3)CF)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CF)O3
ACDLabs 10.04FCC3OC(n2cnc1c(ncnc12)N)CC3O
FormulaC10 H12 F N5 O2
Name5'-FLUORO-2',5'-DIDEOXYADENOSINE
ChEMBL
DrugBankDB07170
ZINCZINC000016051853
PDB chain2c5b Chain C Residue 500 [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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PDB2c5b Substrate Specificity in Enzymatic Fluorination. The Fluorinase from Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D16 W50 Y77 T80 T155 F156 S158
Binding residue
(residue number reindexed from 1)		D9 W43 Y70 T73 T148 F149 S151
Annotation score3
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:2c5b, PDBe:2c5b, PDBj:2c5b
PDBsum2c5b
PubMed16604208
UniProtQ70GK9|FLA_STRCT Fluorinase (Gene Name=flA)

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