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(-) Description

Title :  CRYSTAL STRUCTURE OF PHENAZINE BIOSYNTHESIS PROTEIN PHZA/B FROM BURKHOLDERIA CEPACIA R18194, COMPLEX WITH 2-(CYCLOHEXYLAMINO)BENZOIC ACID
 
Authors :  E. G. Ahuja, P. Janning, M. Mentel, A. Graebsch, R. Breinbauer, W. Blankenfeldt
Date :  24 Oct 07  (Deposition) - 30 Dec 08  (Release) - 30 Dec 08  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.70
Chains :  Asym./Biol. Unit :  A,B
Keywords :  Phenazine Biosynthesis, Imine, Schiff Base, Biosynthetic Protein (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  E. G. Ahuja, P. Janning, M. Mentel, A. Graebsch, R. Breinbauer, W. Hiller, B. Costisella, L. S. Thomashow, D. V. Mavrodi, W. Blankenfeldt
Phza/B Catalyzes The Formation Of The Tricycle In Phenazine Biosynthesis.
J. Am. Chem. Soc. V. 130 17053 2008
PubMed-ID: 19053436  |  Reference-DOI: 10.1021/JA806325K
(for further references see the PDB file header)

(-) Compounds

Molecule 1 - PHENAZINE BIOSYNTHESIS PROTEIN A/B
    Chains: A, B
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PET15B
    Expression System Strain: ROSETTA2 PLYSS
    Expression System Taxid: 562
    Expression System Vector Type: PLASMID
    Organism Common: BURKHOLDERIA CEPACIA
    Organism Scientific: BURKHOLDERIA SP.
    Organism Taxid: 36773
    Strain: R18194

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit : AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 4)

Asymmetric/Biological Unit (3, 4)
No.NameCountTypeFull Name
13B42Ligand/Ion2-(CYCLOHEXYLAMINO)BENZOIC ACID
2ACT1Ligand/IonACETATE ION
3AZI1Ligand/IonAZIDE ION

(-) Sites  (4, 4)

Asymmetric Unit (4, 4)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREARG A:41 , TRP A:84 , TRP A:86 , 3B4 A:500 , HOH A:609 , HOH A:649BINDING SITE FOR RESIDUE AZI A 600
2AC2SOFTWAREARG B:38 , ARG B:41 , TRP B:84 , TRP B:86 , 3B4 B:500 , HOH B:617 , HOH B:677 , HOH B:714BINDING SITE FOR RESIDUE ACT B 600
3AC3SOFTWAREHIS A:73 , SER A:77 , PHE A:81 , TRP A:84 , GLU A:140 , GLN A:147 , AZI A:600 , HOH A:605 , ARG B:160BINDING SITE FOR RESIDUE 3B4 A 500
4AC4SOFTWAREARG A:160 , HIS B:73 , SER B:77 , PHE B:81 , TRP B:84 , PHE B:112 , GLU B:140 , GLN B:147 , ACT B:600 , HOH B:607BINDING SITE FOR RESIDUE 3B4 B 500

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 3B4P)

(-) Cis Peptide Bonds  (1, 1)

Asymmetric/Biological Unit
No.Residues
1Pro B:164 -Ser B:165

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 3B4P)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 3B4P)

(-) Exons   (0, 0)

(no "Exon" information available for 3B4P)

(-) Sequences/Alignments

Asymmetric/Biological 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    
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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:157
 aligned with Q396C9_BURL3 | Q396C9 from UniProtKB/TrEMBL  Length:165

    Alignment length:157
                                    18        28        38        48        58        68        78        88        98       108       118       128       138       148       158       
         Q396C9_BURL3     9 NTSENRAQVAARQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS 165
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeeeeee........eeeehhhhhhhhhhhhhhhh...eeeeeeee......eeeeeeeeeeee.......eeeeeeeeeeeeee..eeeeeeeeehhhhhhhhh.............. Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 3b4p A   9 NTSENRAQVAARQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS 165
                                    18        28        38        48        58        68        78        88        98       108       118       128       138       148       158       


Chain B from PDB  Type:PROTEIN  Length:158
 aligned with Q396C9_BURL3 | Q396C9 from UniProtKB/TrEMBL  Length:165

    Alignment length:158
                                    17        27        37        47        57        67        77        87        97       107       117       127       137       147       157        
         Q396C9_BURL3     8 ENTSENRAQVAARQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS 165
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeeeeeeee........eeeehhhhhhhhhhhhhhhh...eeeeeeeee.....eeeeeeeeeeee.......eeeeeeeeeeeeee..eeeeeeeeehhhhhhhhh.............. Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 3b4p B   8 ENTSENRAQVAARQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS 165
                                    17        27        37        47        57        67        77        87        97       107       117       127       137       147       157
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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 3B4P)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 3B4P)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 3B4P)

(-) Gene Ontology  (1, 1)

Asymmetric/Biological Unit(hide GO term definitions)
Chain A,B   (Q396C9_BURL3 | Q396C9)
biological process
    GO:0017000    antibiotic biosynthetic process    The chemical reactions and pathways resulting in the formation of an antibiotic, a substance produced by or derived from certain fungi, bacteria, and other organisms, that can destroy or inhibit the growth of other microorganisms.

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 Related Entries

(-) Entries Sharing at Least One Protein Chain (UniProt ID)

UniProtKB/TrEMBL
        Q396C9_BURL3 | Q396C9: 3b4o 3cnm 3dzl 3ex9 3jum 3jun 3juo 3jup 3juq

(-) Related Entries Specified in the PDB File

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