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(-) Description

Title :  STRUCTURE OF THE STAPHYLOCOCCUS AUREUS PUTATIVE ATPASE SUBUNIT OF AN ATP-BINDING CASSETTE (ABC) TRANSPORTER
 
Authors :  T. E. Mcgrath, C. S. Yu, V. Romanov, R. Lam, A. Dharamsi, C. Virag, K. Mans D. Thambipillai, D. Richards, J. Guthrie, A. M. Edwards, E. F. Pai, N. Y. Chirgadze
Date :  27 Sep 06  (Deposition) - 18 Sep 07  (Release) - 13 Jul 11  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.90
Chains :  Asym./Biol. Unit :  A,B
Keywords :  Atpase, Abc Cassette, Hydrolase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  T. E. Mcgrath, C. S. Yu, V. Romanov, A. M. Edwards, E. F. Pai, N. Y. Chirgadze
Crystal Structure Of The Staphylococcus Aureus Putative Atpase Subunit Of An Atp-Binding Cassette (Abc) Transporter
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - ABC TRANSPORTER, ATP-BINDING PROTEIN
    Chains: A, B
    EC Number: 3.6.3.34
    Engineered: YES
    Expression System: ESCHERICHIA COLI BL21(DE3)
    Expression System Plasmid: PET15B
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Organism Scientific: STAPHYLOCOCCUS AUREUS
    Organism Taxid: 1280
    Strain: COLA

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit : AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (2, 22)

Asymmetric/Biological Unit (2, 22)
No.NameCountTypeFull Name
1MSE20Mod. Amino AcidSELENOMETHIONINE
2SO42Ligand/IonSULFATE ION

(-) Sites  (2, 2)

Asymmetric Unit (2, 2)
No.NameEvidenceResiduesDescription
1AC1SOFTWARELEU A:36 , ASN A:37 , GLY A:38 , ALA A:39 , GLY A:40 , LYS A:41 , THR A:42 , HOH A:330BINDING SITE FOR RESIDUE SO4 A 301
2AC2SOFTWARELEU B:36 , GLY B:38 , ALA B:39 , GLY B:40 , LYS B:41 , THR B:42 , HOH B:315 , HOH B:382BINDING SITE FOR RESIDUE SO4 B 302

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 2IHY)

(-) Cis Peptide Bonds  (1, 1)

Asymmetric/Biological Unit
No.Residues
1Pro B:66 -Gly B:67

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 2IHY)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 2IHY)

(-) Exons   (0, 0)

(no "Exon" information available for 2IHY)

(-) 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    
   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:248
 aligned with A0A0H2WZ98_S | A0A0H2WZ98 from UniProtKB/TrEMBL  Length:260

    Alignment length:260
                             1                                                                                                                                                                                                                                                                   
                             |       9        19        29        39        49        59        69        79        89        99       109       119       129       139       149       159       169       179       189       199       209       219       229       239       249       259
         A0A0H2WZ98_S     - -MLIQLDQIGRMKQGKTILKKISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEIRNEAHQLLKLVGMSAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAMIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSENMSRFFQKNVAVQRWNNRFSMAML 259
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeeeeeeeeeee..eeeeeeeeeeee...eeeee.....hhhhhhhhhh......eeeeee......---.hhhhhhh.eeeehhhhhh......hhhhhhhh..---------.hhhhhhhhhhhhhhh.hhhhh..hhhhhhhhhhhhhhhhhhhhh...eeeee......hhhhhhhhhhhhhhhhhhh...eeeeee.hhhhh.....eeeeee..eeeeeeehhhhhhhhhhhhhhh..eeeeee..eeeeee. Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 2ihy A   0 HmLIQLDQIGRmKQGKTILKKISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKmPG---YSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGA---------IDDEIRNEAHQLLKLVGmSAKAQQYIGYLSTGEKQRVmIARALmGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAmIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSENmSRFFQKNVAVQRWNNRFSmAmL 259
                             |       9 |      19        29        39        49        59     | | - |      79        89        99     |   -     | 119       129  |    139       149  |    159       169       179       189       199       209       219       229       239       249      |259
                             |        11-MSE                                                65-MSE71                               105       115              132-MSE             152-MSE |                                    197-MSE                                 237-MSE            256-MSE
                             1-MSE                                                            67                                                                                        158-MSE                                                                                             258-MSE


Chain B from PDB  Type:PROTEIN  Length:261
 aligned with A0A0H2WZ98_S | A0A0H2WZ98 from UniProtKB/TrEMBL  Length:260

    Alignment length:261
                              1                                                                                                                                                                                                                                                                   
                              |      8        18        28        38        48        58        68        78        88        98       108       118       128       138       148       158       168       178       188       198       208       218       228       238       248       258 
         A0A0H2WZ98_S     - --MLIQLDQIGRMKQGKTILKKISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKMPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEIRNEAHQLLKLVGMSAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAMIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSENMSRFFQKNVAVQRWNNRFSMAML 259
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..eeeeeeeeeeee..eeeeeeeeeeee...eeeee.....hhhhhhhhhh......eeeeee..........hhhhhhh.eeeehhhhhh......hhhhhhhh.hhhhhh.....hhhhhhhhhhhhhhh.hhhhh..hhhhhhhhhhhhhhhhhhh.....eeeee......hhhhhhhhhhhhhhhhhhh...eeeeee.hhhhh.....eeeeee..eeeeeeehhhhhhhhhhhhhhh..eeeeee..eeeeee. Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 2ihy B  -1 SHmLIQLDQIGRmKQGKTILKKISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATSGTVNLFGKmPGKVGYSAETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEIRNEAHQLLKLVGmSAKAQQYIGYLSTGEKQRVmIARALmGQPQVLILDEPAAGLDFIARESLLSILDSLSDSYPTLAmIYVTHFIEEITANFSKILLLKDGQSIQQGAVEDILTSENmSRFFQKNVAVQRWNNRFSmAmL 259
                              |      8  |     18        28        38        48        58      | 68        78        88        98       108       118       128   |   138       148   |   158       168       178       188       198       208       218       228       238       248       258 
                              |        11-MSE                                                65-MSE                                                            132-MSE             152-MSE |                                    197-MSE                                 237-MSE            256-MSE
                              1-MSE                                                                                                                                                      158-MSE                                                                                             258-MSE
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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 2IHY)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 2IHY)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 2IHY)

(-) Gene Ontology  (0, 0)

Asymmetric/Biological Unit(hide GO term definitions)
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