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(-) Description

Title :  NATIVE DI-ZINC VIM-26. LEU224 IN VIM-26 FROM KLEBSIELLA PNEUMONIAE HAS IMPLICATIONS FOR DRUG BINDING.
 
Authors :  H. -K. S. Leiros, K. S. W. Edvardsen, G. E. K. Bjerga, O. Samuelsen
Date :  14 Aug 14  (Deposition) - 04 Feb 15  (Release) - 15 Apr 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.56
Chains :  Asym./Biol. Unit :  B
Keywords :  Hydrolase, Antibiotic Resistance, Klebsiella Pneumoniae, Drug Binding Site (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  H. S. Leiros, K. S. W. Edvardsen, G. E. K. Bjerga, O. Samuelsen
Structural And Biochemical Characterization Of Vim-26 Show That Leu224 Has Implications For The Substrate Specificity Of Vim Metallo-Beta-Lactamases.
Febs J. V. 282 1031 2015
PubMed-ID: 25601024  |  Reference-DOI: 10.1111/FEBS.13200

(-) Compounds

Molecule 1 - METALLO-BETA-LACTAMASE VIM-26
    Chains: B
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Organism Scientific: KLEBSIELLA PNEUMONIAE
    Organism Taxid: 573

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : B

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (4, 5)

Asymmetric/Biological Unit (4, 5)
No.NameCountTypeFull Name
1GOL1Ligand/IonGLYCEROL
2NA1Ligand/IonSODIUM ION
3OCS1Mod. Amino AcidCYSTEINESULFONIC ACID
4ZN2Ligand/IonZINC ION

(-) Sites  (4, 4)

Asymmetric Unit (4, 4)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREVAL B:109 , HOH B:2052 , HOH B:2163BINDING SITE FOR RESIDUE NA B1296
2AC2SOFTWAREHIS B:116 , HIS B:118 , HIS B:196 , OCS B:221 , ZN B:1298 , HOH B:2066BINDING SITE FOR RESIDUE ZN B1297
3AC3SOFTWAREASP B:120 , OCS B:221 , HIS B:263 , ZN B:1297 , HOH B:2066 , HOH B:2073 , HOH B:2127BINDING SITE FOR RESIDUE ZN B1298
4AC4SOFTWARELYS B:102 , GLN B:103 , SER B:197 , THR B:198 , ASP B:236BINDING SITE FOR RESIDUE GOL B1299

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (0, 0)

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

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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(-) Exons   (0, 0)

(no "Exon" information available for 4UWO)

(-) Sequences/Alignments

Asymmetric/Biological Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
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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 B from PDB  Type:PROTEIN  Length:230
                                                                                                                                                                                                                                                                      
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...hhhhh....eeeeeee..eeeeeeeeee..eeeeeeeeeeee..eeeee....hhhhhhhhhhhhhhhh...eeeee....hhhhhhhhhhhhhh..eeeehhhhhhhhhhhh.....ee.........eeee..eeee...........eeee....eeeeehhh.................hhhhhhhhhhhhh....eeee.......hhhhhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4uwo B  30 EYPTVNEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEAEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSANVLYGGcAVLELSSTSAGNVADADLAEWPTSVERIQKHYPEAEVVIPGHGLPGGLDLLQHTANVVKAHKN 295
                                    39     || 50        60   ||   71        81        91       102    || 113       123       134       144     ||168       178       188       198      |211|     |224       234       244       254       264||     285       295
                                          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 4UWO)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (2, 2)

Asymmetric/Biological Unit(hide GO term definitions)

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 Related Entries

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

UniProtKB/TrEMBL
        E5BDC6_KLEPN | E5BDC6: 4uwp 4uwr 4uws

(-) Related Entries Specified in the PDB File

4uwp PENTA ZN1 COORDINATION. LEU224 IN VIM-26 FROM KLEBSIELLA PNEUMONIAE HAS IMPLICATIONS FOR DRUG BINDING.
4uwr MONO-ZINC VIM-26. LEU224 IN VIM-26 FROM KLEBSIELLA PNEUMONIAE HAS IMPLICATIONS FOR DRUG BINDING.
4uws VIM-26-PEG. LEU224 IN VIM-26 FROM KLEBSIELLA PNEUMONIAE HAS IMPLICATIONS FOR DRUG BINDING.