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(-) Description

Title :  CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM PROPIONATE KINASE A88V MUTANT, IN COMPLEX WITH AMPPNP AND PROPIONATE
 
Authors :  A. M. V. Murthy, S. Mathivanan, S. Chittori, H. S. Savithri, M. R. N. Murt
Date :  04 Jan 15  (Deposition) - 19 Aug 15  (Release) - 23 Sep 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.80
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (2x)
Keywords :  Transferase, Kinase, Tdcd, Amppnp, Propionate (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  A. M. V. Murthy, S. Mathivanan, S. Chittori, H. S. Savithri, M. R. N. Murthy
Structures Of Substrate- And Nucleotide-Bound Propionate Kinase From Salmonella Typhimurium: Substrate Specificity And Phosphate-Transfer Mechanism
Acta Crystallogr. , Sect. D V. 71 1640 2015
PubMed-ID: 26249345  |  Reference-DOI: 10.1107/S1399004715009992

(-) Compounds

Molecule 1 - PROPIONATE KINASE
    Chains: A
    EC Number: 2.7.2.15
    Engineered: YES
    Expression System: ESCHERICHIA COLI BL21(DE3)
    Expression System Plasmid: PRSET C PRSET C PRSETPRSET PRSET C
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Fragment: UNP RESIDUES 1-402
    Gene: TDCD, OXD-2, STM3242
    Mutation: YES
    Organism Scientific: SALMONELLA TYPHIMURIUM (STRAIN LT2 / SGSC1412 / ATCC 700720)
    Organism Taxid: 99287
    Strain: LT2 / SGSC1412 / ATCC 700720

 Structural Features

(-) Chains, Units

  1
Asymmetric Unit : A
Biological Unit 1 (2x): A

Summary Information (see also Sequences/Alignments below)

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

Asymmetric Unit (4, 4)
No.NameCountTypeFull Name
1ANP1Ligand/IonPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
2GOL1Ligand/IonGLYCEROL
3PPI1Ligand/IonPROPANOIC ACID
4SO41Ligand/IonSULFATE ION
Biological Unit 1 (4, 8)
No.NameCountTypeFull Name
1ANP2Ligand/IonPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
2GOL2Ligand/IonGLYCEROL
3PPI2Ligand/IonPROPANOIC ACID
4SO42Ligand/IonSULFATE ION

(-) Sites  (4, 4)

Asymmetric Unit (4, 4)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREHIS A:175 , HIS A:203 , GLY A:205 , ASN A:206 , GLY A:207 , ASP A:278 , LEU A:279 , ARG A:280 , GLU A:283 , GLY A:326 , ILE A:327 , ASN A:330 , PPI A:504 , HOH A:627 , HOH A:688binding site for residue ANP A 501
2AC2SOFTWAREARG A:306 , HIS A:307 , GLY A:310 , HOH A:607 , HOH A:674binding site for residue GOL A 502
3AC3SOFTWARETHR A:255 , LEU A:256binding site for residue SO4 A 503
4AC4SOFTWAREPHE A:174 , MET A:223 , PRO A:227 , ARG A:236 , ANP A:501binding site for residue PPI A 504

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4XH4)

(-) Cis Peptide Bonds  (1, 1)

Asymmetric Unit
No.Residues
1Asn A:48 -Gly A:49

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4XH4)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4XH4)

(-) Exons   (0, 0)

(no "Exon" information available for 4XH4)

(-) Sequences/Alignments

Asymmetric 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:394
                                                                                                                                                                                                                                                                                                                                                                                                                                          
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..eeeeeee....eeeeeee.....eeeeeeee......eeeeee....eeee..hhhhhhhhhhhhhhhh.hhh.eeeeeeee..........ee.hhhhhhhhhhhh..hhhhhhhhhhhhhhhhhhh...eeeeee.hhhhhhhhhhhhh...hhhhhhhhh......hhhhhhhhhhhhhhhhh......eeeeeee...eeeeeee..eeeee...................hhhhhhhhhhhhh.hhhhhhhhhhhhhhhhhhhh...hhhhhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhh......eeeeehhhhhhhhhhhhhhhhhhhhhh...hhhhhhhhhhhh.ee........eeee...hhhhhhhhhhhhhh.... Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4xh4 A   4 FPVVLVINCGSSSIKFSVLDVATCDVLMAGIADGMNTENAFLSINGDKPINLAHSNYEDALKAIAFELEKRDLTDSVALIGHRIVHGGELFTQSVIITDEIIDNIRRVSPLAPLHNYANLSGIDAARHLFPAVRQVAVFDTSFHQTLAPEAYLYGLPWEYFSSLGVRRYGFHGTSHRYVSRRAYELLDLDEKDSGLIVAHLGNGASICAVRNGQSVDTSMGMTPLEGLMMGTRSGDVDFGAMAWIAKETGQTLSDLERVVNKESGLLGISGLSSDLRVLEKAWHEGHERARLAIKTFVHRIARHIAGHAASLHRLDGIIFTGGIGENSVLIRQLVIEHLGVLGLTLDVEMNKQPNSHGERIISANPSQVICAVIPTNEEKMIALDAIHLGNVKA 397
                                    13        23        33        43        53        63        73        83        93       103       113       123       133       143       153       163       173       183       193       203       213       223       233       243       253       263       273       283       293       303       313       323       333       343       353       363       373       383       393
   Legend:   → Mismatch (orange background)
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  x → Chemical Group (purple background, 'x', labelled with number + name, e.g. ACE or NH2)
  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 4XH4)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4XH4)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4XH4)

(-) Gene Ontology  (12, 12)

Asymmetric Unit(hide GO term definitions)

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    Asn A:48 - Gly A:49   [ RasMol ]  
 
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 Related Entries

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

UniProtKB/Swiss-Prot
        TDCD_SALTY | O06961: 1x3m 1x3n 2e1y 2e1z 2e20 4fwk 4fwl 4fwm 4fwn 4fwo 4fwp 4fwq 4fwr 4fws 4xh1 4xh5

(-) Related Entries Specified in the PDB File

4xh1 4xh5