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(-) Description

Title :  STRUCTURE OF FLUORINASE FROM STREPTOMYCES SP. MA37
 
Authors :  B. Xue, R. C. Robinson
Date :  29 May 16  (Deposition) - 26 Oct 16  (Release) - 16 Nov 16  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.95
Chains :  Asym. Unit :  A,B
Biol. Unit 1:  A,B  (3x)
Keywords :  Transferase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  H. Sun, W. L. Yeo, Y. H. Lim, X. Chew, D. J. Smith, B. Xue, K. P. Chan, R. C. Robinson, E. G. Robins, H. Zhao, E. L. Ang
Directed Evolution Of A Fluorinase For Improved Fluorinatio Efficiency With A Non-Native Substrate
Angew. Chem. Int. Ed. Engl. V. 55 14277 2016
PubMed-ID: 27739177  |  Reference-DOI: 10.1002/ANIE.201606722

(-) Compounds

Molecule 1 - FLUORINASE
    Chains: A, B
    Engineered: YES
    Expression System: ESCHERICHIA COLI BL21(DE3)
    Expression System Plasmid: PET28A
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Gene: FLA1
    Organism Scientific: STREPTOMYCES SP. MA37
    Organism Taxid: 1400207

 Structural Features

(-) Chains, Units

  12
Asymmetric Unit : AB
Biological Unit 1 (3x): AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (2, 4)

Asymmetric Unit (2, 4)
No.NameCountTypeFull Name
1ADN2Ligand/IonADENOSINE
2MET2Mod. Amino AcidMETHIONINE
Biological Unit 1 (2, 12)
No.NameCountTypeFull Name
1ADN6Ligand/IonADENOSINE
2MET6Mod. Amino AcidMETHIONINE

(-) Sites  (4, 4)

Asymmetric Unit (4, 4)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREASP A:21 , SER A:23 , THR A:155 , PHE A:156 , ASP A:210 , PHE A:213 , TRP A:217 , SER A:269 , ARG A:270 , ADN A:302 , HOH A:414binding site for residue MET A 301
2AC2SOFTWAREASP A:16 , TRP A:50 , THR A:76 , TYR A:77 , PRO A:78 , THR A:80 , THR A:155 , PHE A:156 , TYR A:157 , SER A:158 , PHE A:213 , ASN A:215 , PHE A:254 , ARG A:277 , ALA A:279 , MET A:301binding site for residue ADN A 302
3AC3SOFTWARESER B:23 , THR B:155 , ASP B:210 , PHE B:213 , TRP B:217 , SER B:269 , ADN B:302 , HOH B:410binding site for residue MET B 301
4AC4SOFTWAREASP B:16 , TRP B:50 , THR B:76 , TYR B:77 , PRO B:78 , THR B:80 , THR B:155 , PHE B:156 , TYR B:157 , SER B:158 , PHE B:213 , ASN B:215 , PHE B:254 , ARG B:277 , ALA B:279 , MET B:301binding site for residue ADN B 302

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5B6I)

(-) Cis Peptide Bonds  (2, 2)

Asymmetric Unit
No.Residues
1His A:211 -Pro A:212
2His B:211 -Pro B:212

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5B6I)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5B6I)

(-) Exons   (0, 0)

(no "Exon" information available for 5B6I)

(-) Sequences/Alignments

Asymmetric Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it) 
Chain A from PDB  Type:PROTEIN  Length:293
                                                                                                                                                                                                                                                                                                                                     
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..eeeeee......hhhhhhhhhhhhhh...eeee........hhhhhhhh...hhhhh....eeeee...........eeeee..........................eeee.....hhhhhhhhheeeeee..............hhhhhhhhhhhhhhhh..hhhhh....hhhhh........ee...eeeeeeeeee....eeeeeeehhhhhhh......eeeeee...eeeeee...hhhhhh....eeeee....eeeeee.....hhhhh.....eeeeee.. Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5b6i A   8 RPIIAFMSDLGTTDDSVAQCKGLMHSICPGVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIRQAAKGGARGQWAGSGDGFERADGSYIYIAPNNGLLTTVLEEHGYIEAYEVTSTKVIPANPEPTFYSREMVAIPSAHLAAGFPLAEVGRRLDDSEIVRFHRPAVEISGEALSGVVTAIDHPFGNIWTNIHRTDLEKAGIGQGKHLKIILDDVLPFEAPLTPTFADAGAIGNIAFYLNSRGYLSLARNAASLAYPYNLKAGLKVRVEARM 301
                                    17        27        37        47        57        67        77        87        97       107       117       127       137       147       157       167       177       187       197       207       217       227       237       247       257       267       277       287       297 ||
                                                                                                                                                                                                                                                                                                                             299|
                                                                                                                                                                                                                                                                                                                              301


Chain B from PDB  Type:PROTEIN  Length:286
                                                                                                                                                                                                                                                                                                                              
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..eeeeee......hhhhhhhhhhhhhh...eeee........hhhhhhhhhh.hhhhh....eeeee...........eeeee...................eeee.....hhhhhhhhheeeeee..............hhhhhhhhhhhhhhhh..hhhhh....hhhhh........eee..eeeeeeeee......eeeeeehhhhhhh......eeeeee...eeeeee...hhhhhh....eeeee....eeeeee...............eeeeee.. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5b6i B   8 RPIIAFMSDLGTTDDSVAQCKGLMHSICPGVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIRQAAWAGSGDGFERADGSYIYIAPNNGLLTTVLEEHGYIEAYEVTSTKVIPANPEPTFYSREMVAIPSAHLAAGFPLAEVGRRLDDSEIVRFHRPAVEISGEALSGVVTAIDHPFGNIWTNIHRTDLEKAGIGQGKHLKIILDDVLPFEAPLTPTFADAGAIGNIAFYLNSRGYLSLARNAASLAYPYNLKAGLKVRVEARM 301
                                    17        27        37        47        57        67        77        87       104       114       124       134       144       154       164       174       184       194       204       214       224       234       244       254       264       274       284       294    ||
                                                                                                                  95|                                                                                                                                                                                                 299|
                                                                                                                  103                                                                                                                                                                                                  301
   Legend:   → Mismatch (orange background)
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  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 5B6I)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5B6I)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5B6I)

(-) Gene Ontology  (1, 1)

Asymmetric Unit(hide GO term definitions)

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 Related Entries

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        W0W999_9ACTN | W0W999: 5lmz

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