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(-) Description

Title :  A H224Y MUTANT FOR VIM-7 FROM PSEUDOMONAS AERUGINOSA
 
Authors :  H. -K. S. Leiros, S. Skagseth, K. S. W. Edvardsen, M. S. Lorentzen, G. E. K I. Leiros, O. Samuelsen
Date :  05 May 14  (Deposition) - 25 Jun 14  (Release) - 13 Aug 14  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.40
Chains :  Asym./Biol. Unit :  A
Keywords :  Hydrolase, Residue Determinants, Ligand Interaction (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  H. -K. S. Leiros, S. Skagseth, K. S. W. Edvardsen, M. S. Lorentzen, G. E. K. Bjerga, I. Leiros, O. Samuelsen
His224 Alters The R2 Drug Binding Site And Phe218 Influences The Catalytic Efficiency In The Metallo-Beta-Lactamase Vim-7.
Antimicrob. Agents Chemother. V. 58 4826 2014
PubMed-ID: 24913158  |  Reference-DOI: 10.1128/AAC.02735-13

(-) Compounds

Molecule 1 - METALLO-B-LACTAMASE
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Variant: STAR
    Mutation: YES
    Organism Scientific: PSEUDOMONAS AERUGINOSA
    Organism Taxid: 287
    Synonym: METALLO-BETA-LACTAMASE

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (2, 3)

Asymmetric/Biological Unit (2, 3)
No.NameCountTypeFull Name
1OCS1Mod. Amino AcidCYSTEINESULFONIC ACID
2ZN2Ligand/IonZINC ION

(-) Sites  (2, 2)

Asymmetric Unit (2, 2)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREHIS A:116 , HIS A:118 , HIS A:196 , OCS A:221 , ZN A:1294 , HOH A:2118 , HOH A:2119BINDING SITE FOR RESIDUE ZN A1293
2AC2SOFTWAREASP A:120 , OCS A:221 , HIS A:263 , ZN A:1293 , HOH A:2118 , HOH A:2126BINDING SITE FOR RESIDUE ZN A1294

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4D1W)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4D1W)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4D1W)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4D1W)

(-) Exons   (0, 0)

(no "Exon" information available for 4D1W)

(-) 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:227
 aligned with Q840P9_PSEAI | Q840P9 from UniProtKB/TrEMBL  Length:265

    Alignment length:227
                                    40        50        60        70        80        90       100       110       120       130       140       150       160       170       180       190       200       210       220       230       240       250       
         Q840P9_PSEAI    31 EYPTVDDIPVGEVRLYKIGDGVWSHIATQKLGDTVYSSNGLIVRDADELLLIDTAWGAKNTVALLAEIEKQIGLPVTRSISTHFHDDRVGGVDVLRAAGVATYTSPLTRQLAEAAGNEVPAHSLKALSSSGDVVRFGPVEVFYPGAAHSGDNLVVYVPAVRVLFGGCAVHEASRESAGNVADANLAEWPATIKRIQQRYPEAEVVIPGHGLPGGLELLQHTTNVVKT 257
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .............eeeeee..eeeeeeeeee..eeeeeeeeeeee..eeeee....hhhhhhhhhhhhhhhh...eeeee....hhhhhhhhhhhhhh..eeeehhhhhhhhhhhh.....ee........eeeee..eeeee..........eeee....eeeeehhh.................hhhhhhhhhhhhh....eeee.......hhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4d1w A  30 EYPTVDDIPVGEVRLYKIGDGVWSHIATQKLGDTVYSSNGLIVRDADELLLIDTAWGAKNTVALLAEIEKQIGLPVTRSISTHFHDDRVGGVDVLRAAGVATYTSPLTRQLAEAAGNEVPAHSLKALSSSGDVVRFGPVEVFYPGAAHSGDNLVVYVPAVRVLFGGcAVYEASRESAGNVADANLAEWPATIKRIQQRYPEAEVVIPGHGLPGGLELLQHTTNVVKT 292
                                    39     || 50        60   ||   71        81        91       102    || 113       123       134       144     ||168       178       188       198      |211|     |224       234       244       254       264||     285       
                                          45|               64|                               100|  107|                   131|              150|                                     205| ||     |                                         265|               
                                           47                66                                102   109                    133               165                                      209 ||     |                                          277               
                                                                                                                                                                                         211|     |                                                            
                                                                                                                                                                                          215     |                                                            
                                                                                                                                                                                                221-OCS
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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 4D1W)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4D1W)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4D1W)

(-) Gene Ontology  (4, 4)

Asymmetric/Biological Unit(hide GO term definitions)
Chain A   (Q840P9_PSEAI | Q840P9)
molecular function
    GO:0008800    beta-lactamase activity    Catalysis of the reaction: a beta-lactam + H2O = a substituted beta-amino acid.
    GO:0046872    metal ion binding    Interacting selectively and non-covalently with any metal ion.
    GO:0008270    zinc ion binding    Interacting selectively and non-covalently with zinc (Zn) ions.
biological process
    GO:0017001    antibiotic catabolic process    The chemical reactions and pathways resulting in the breakdown of 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
        Q840P9_PSEAI | Q840P9: 2y87 2y8a 2y8b 4d1t 4d1u 4d1v

(-) Related Entries Specified in the PDB File

4d1t HIGH RESOLUTION STRUCTURE OF NATIVE TVIM-7 FROM PSEUDOMONAS AERUGINOSA
4d1u A D120A MUTANT OF VIM-7 FROM PSEUDOMONAS AERUGINOSA
4d1v A F218Y MUTANT OF VIM-7 FROM PSEUDOMONAS AERUGINOSA