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(-) Description

Title :  CRYSTAL STRUCTURE OF PEPCK (RV0211) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH OXALATE AND MN2+
 
Authors :  H. L. Kim, J. C. Sacchettini
Date :  26 Sep 14  (Deposition) - 22 Oct 14  (Release) - 25 Feb 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.02
Chains :  Asym./Biol. Unit :  A
Keywords :  Gtp-Dependent Pepck, P-Loop, R-Loop, Omega-Loop, Lyase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  H. L. Kim
Crystal Structure Of Pepck (Rv0211) From Mycobacterium Tuberculosis In Complex With Oxalate And Mn2+
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - PHOSPHOENOLPYRUVATE CARBOXYKINASE [GTP]
    Chains: A
    EC Number: 4.1.1.32
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PET28
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Gene: PCKG, MRA_0219
    Organism Scientific: MYCOBACTERIUM TUBERCULOSIS
    Organism Taxid: 419947
    Strain: ATCC 25177 / H37RA
    Synonym: PEPCK

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

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

Asymmetric/Biological Unit (3, 3)
No.NameCountTypeFull Name
1GOL1Ligand/IonGLYCEROL
2MN1Ligand/IonMANGANESE (II) ION
3OXL1Ligand/IonOXALATE ION

(-) Sites  (3, 3)

Asymmetric Unit (3, 3)
No.NameEvidenceResiduesDescription
1AC1SOFTWARELYS A:229 , HIS A:249 , ASP A:296 , OXL A:702 , HOH A:1376binding site for residue MN A 701
2AC2SOFTWAREARG A:81 , LYS A:229 , HIS A:249 , ARG A:389 , MN A:701 , HOH A:1151binding site for residue OXL A 702
3AC3SOFTWAREGLU A:83 , THR A:86 , THR A:99 , ASN A:100 , ASN A:101 , ARG A:234 , LEU A:467 , PRO A:468 , HOH A:955 , HOH A:1094binding site for residue GOL A 703

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (0, 0)

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

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 4WIU)

(-) 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:600
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author ...hhhhh.........hhhhhhhhhhhhhhhh..eeee...hhhhhhhhhhhhhhh..eee.........eee.........hhh.eee...hhhhh.......hhhhhhhhhhhhhh......eeeeeeeee........eeeeeee.hhhhhhhhhhhheehhhhhhhh......eeeeee....................eeeee....eeeee...hhhhhh.......hhhhhhhhhhhh.eee..eeeeee.....eeeeeee.....hhhhhhh........eeeeee...eeeee.....eeee....eeeee........hhhhhhhhhh...eee..eee....ee.........eee.....eee.............eeeee.hhh...hhhhhh...eeeeeeeee.........eee..hhhhhhhhhhh.eee...eee.hhhh......hhhhhhhhhhhhhhh.hhhhh.eeeee..............hhhhhhhhhhhhhhhhh.....eee..eee.hhhhh.......hhhhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 4wiu A  -1 SHMTSATIPGLDTAPTNHQGLLSWVEEVAELTQPDRVVFTDGSEEEFQRLCDQLVEAGTFIRLNPEKHKNSYLALSDPSDVARVESRTYICSAKEIDAGPTNNWMDPGEMRSIMKDLYRGCMRGRTMYVVPFCMGPLGAEDPKLGVEITDSEYVVVSMRTMTRMGKAALEKMGDDGFFVKALHSVGAPLEPGQKDVAWPCSETKYITHFPETREIWSYGSGYGGNALLGKKCYSLRIASAMAHDEGWLAEHMLILKLISPENKAYYFAAAFPSACGKTNLAMLQPTIPGWRAETLGDDIAWMRFGKDGRLYAVNPEFGFFGVAPGTNWKSNPNAMRTIAAGNTVFTNVALTDDGDVWWEGLEGDPQHLIDWKGNDWYFRETETNAAHPNSRYCTPMSQCPILAPEWDDPQGVPISGILFGGRRKTTVPLVTEARDWQHGVFIGATLGSEQTNVRRDPMAMLPFLGYNVGDYFQHWINLGKHADESKLPKVFFVNWFRRGDDGRFLWPGFGENSRVLKWIVDRIEHKAGGATTPIGTVPAVEDLDLDGLDVDAADVAAALAVDADEWRQELPLIEEWLQFVGEKLPTGVKDEFDALKERLG 606
                                     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       268       278       288       298       308       318       328       338       348       358       368       378       388       398       408       418       428       438       448||     466       476       486       496       506       516       526       536       546       556       566       576       586       596       606
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            449|                                                                                                                                                    
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             458
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 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 4WIU)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (11, 11)

Asymmetric/Biological Unit(hide GO term definitions)

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 Related Entries

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

UniProtKB/Swiss-Prot
        PCKG_MYCTA | A5TYT6: 4wie 4wl8 4wou 4wpt 4wpu 4wpv 5i67

(-) Related Entries Specified in the PDB File

4wie 4wl8 4wou 4wpt 4wpu 4wpv