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(-) Description

Title :  STRUCTURE OF MYCOBACTERIUM THERMORESISTIBILE TREHALOSE-6-PHOSPHATE SYNTHASE TERNARY COMPLEX WITH ADP AND GLUCOSE-6-PHOSPHATE.
 
Authors :  V. Mendes, N. Verma, M. Blaszczyk, T. L. Blundell
Date :  22 Apr 16  (Deposition) - 10 May 17  (Release) - 10 May 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.71
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (4x)
Keywords :  Otsa Trehalose-6-Phosphate Synthase Trehalose, Transferase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  V. Mendes, N. Verma, M. Blaszczyk, T. L. Blundell
Structure Of Mycobacterium Thermoresistibile Trehalose-6-Phosphate Synthase Reveals The Mechanism For Substrate Preference And A Possible Allosteric Site.
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - ALPHA,ALPHA-TREHALOSE-PHOSPHATE SYNTHASE
    Atcc: 19527
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI BL21(DE3)
    Expression System Taxid: 469008
    Gene: RMCT_1906
    Organism Scientific: MYCOBACTERIUM THERMORESISTIBILE
    Organism Taxid: 1797

 Structural Features

(-) Chains, Units

  1
Asymmetric Unit : A
Biological Unit 1 (4x): A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 4)

Asymmetric Unit (3, 4)
No.NameCountTypeFull Name
1ADP1Ligand/IonADENOSINE-5'-DIPHOSPHATE
2EDO2Ligand/Ion1,2-ETHANEDIOL
3G6P1Ligand/IonALPHA-D-GLUCOSE-6-PHOSPHATE
Biological Unit 1 (3, 16)
No.NameCountTypeFull Name
1ADP4Ligand/IonADENOSINE-5'-DIPHOSPHATE
2EDO8Ligand/Ion1,2-ETHANEDIOL
3G6P4Ligand/IonALPHA-D-GLUCOSE-6-PHOSPHATE

(-) Sites  (3, 3)

Asymmetric Unit (3, 3)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREGLY A:38 , GLY A:39 , THR A:42 , VAL A:284 , ASP A:285 , ARG A:286 , LYS A:291 , LEU A:319 , THR A:321 , ARG A:361 , VAL A:363 , ARG A:365 , LEU A:368 , LEU A:389 , VAL A:390 , GLU A:393 , G6P A:502 , HOH A:601 , HOH A:617 , HOH A:648 , HOH A:680 , HOH A:722 , HOH A:736 , HOH A:766 , HOH A:771binding site for residue ADP A 501
2AC2SOFTWAREARG A:18 , PRO A:37 , GLY A:38 , TYR A:90 , ASP A:144 , GLN A:146 , ILE A:169 , ARG A:324 , ADP A:501 , HOH A:620 , HOH A:643 , HOH A:714 , HOH A:733 , HOH A:779 , HOH A:841binding site for residue G6P A 502
3AC3SOFTWARESER A:82 , ASP A:84 , ARG A:118binding site for residue EDO A 503

(-) SS Bonds  (0, 0)

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 Sequence-Structure Mapping

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(-) PROSITE Motifs  (0, 0)

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(-) Exons   (0, 0)

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(-) Sequences/Alignments

Asymmetric Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
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Chain A from PDB  Type:PROTEIN  Length:467
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...eeeeeeeee..eeee...eeee..hhhhhhhhhhhhhh..eeeee..........eee..eeeee...hhhhhhhh..hhhhhhhhhhhh........hhhhhhhhhhhhhhhhhhhhhheeeeeeeeee.hhhhhhhhhhhhhh...eeeee......hhhhhh...hhhhhhhhhh...eeee.hhhhhhhhhhhhhhh................eeeee..eeeeeee.....hhhhhhhhh.hhhhhhhhhhhhhhh....eeeeeeee.....hhhhhhhhhhhhhhh.......eeeeeeee.....hhhhhhhhhhhhhhhhhhhhhhh......eeeee...hhhhhhhhhhhh.eeee.......hhhhhhhhhhh......eeee..hhhhhh....eee...hhhhhhhhhhhhhh.hhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5jio A   7 SGDSDFVVVANRLPIDLERTTSWKRSPGGLVTALEPLLRRRRGAWIGWPGIPDSDEDPIVDGDLVLYPVRLSADDVAQYYEGFSNATLWPLYHDVIVKPIYNRQWWERYVEVNRRFAEATSRAAARGATVWVQDYQLQLVPKMLRELRPDLTIGFFLHIPFPPVELFMQLPWRTEITDGLLGADLVGFHLPGGAQNFLFLARRLVGANTSRASVGVRSKFGEVQIGSRTVKVGAFPISIDSADLDRQARQRSIRQRARQIRAELGNPRRILLGVDRLDYTKGIDVRLQAFAELLAEGRVNREDTVFVQLATPSRERVEAYRLLRDDIERQVGHINGEYGEVGHPVVHYLHRPVPREELIAFFVAADVMLVTPLRDGMNLVAKEYVACRSDLGGALVLSEFTGAAAELGQAYLVNPHNLDHVKDTMVAALNQTPEEGRRRMRALRRQVLAHDVDLWARSFLDALASTR 477
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                                             25|                                                                                                                                                                                                                                                                                                                                                                                                                                                               
                                              30
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