Structure of PDB 2c5b Chain A Binding Site BS03

Receptor Information

>2c5b Chain A (length=291) Species: 29303 (Streptantibioticus cattleyicolor)

RPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGAR
YIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSG
AGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFY
SREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVS
AIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADA
GEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEA

Ligand information

• Ligand ID: MET
• InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
• InChIKey: FFEARJCKVFRZRR-BYPYZUCNSA-N
• SMILES:
  CACTVS 3.341: CSCC[CH](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCCC(C(=O)O)N
  CACTVS 3.341: CSCC[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCC[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CCSC
• Formula: C5 H11 N O2 S
• Name: METHIONINE
• ChEMBL: CHEMBL42336
• DrugBank: DB00134
• ZINC: ZINC000001532529
• PDB chain: 2c5b Chain C Residue 600

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2c5b Substrate Specificity in Enzymatic Fluorination. The Fluorinase from Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D210 F213 W217 S269 R270
• Binding residue (residue number reindexed from 1): D203 F206 W210 S262 R263
• Annotation score: 5

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

External links

• PDB: RCSB:2c5b, PDBe:2c5b, PDBj:2c5b
• PDBsum: 2c5b
• PubMed: 16604208
• UniProt: Q70GK9|FLA_STRCT Fluorinase (Gene Name=flA)