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(-) Description

Title :  CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE INOSINE MONOPHOSPHATE DEHYDROGENASE FROM MYCOBACTERIUM TUBERCULOSIS IN THE COMPLEX WITH XMP AND NAD
 
Authors :  Y. Kim, N. Maltseva, M. Makowska-Grzyska, M. Gu, M. Kavitha, L. Hedstro W. F. Anderson, A. Joachimiak, Center For Structural Genomics Of Infectious Diseases (Csgid)
Date :  10 May 15  (Deposition) - 17 Jun 15  (Release) - 08 Feb 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.60
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (4x)
Keywords :  Impdh, Delta-Cbs, Mycobacterium Tuberculosis, Structural Genomics, Center For Structural Genomics Of Infectious Diseases, Csgid, Oxidoreductase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  M. Makowska-Grzyska, Y. Kim, S. K. Gorla, Y. Wei, K. Mandapati, M. Zhang, N. Maltseva, G. Modi, H. I. Boshoff, M. Gu, C. Aldrich, G. D. Cuny, L. Hedstrom, A. Joachimiak
Mycobacterium Tuberculosis Impdh In Complexes With Substrates, Products And Antitubercular Compounds.
Plos One V. 10 38976 2015
PubMed-ID: 26440283  |  Reference-DOI: 10.1371/JOURNAL.PONE.0138976

(-) Compounds

Molecule 1 - INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE,INOSINE-5'- MONOPHOSPHATE DEHYDROGENASE
    Chains: A
    EC Number: 1.1.1.205, 1.1.1.205
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PMCSG7
    Expression System Strain: BL21(DE3) GOLD
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Fragment: UNP RESIDUES 1-125 AND 253-529 LINKED BY LINKER (GLY GLY)
    Gene: GUAB, GUAB2, RV3411C, MTCY78.17
    Organism Scientific: MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCC 25618 / H37RV)
    Organism Taxid: 83332
    Strain: ATCC 25618 / H37RV
    Synonym: IMPDH

 Structural Features

(-) Chains, Units

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

Summary Information (see also Sequences/Alignments below)

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

Asymmetric Unit (2, 2)
No.NameCountTypeFull Name
1NAD1Ligand/IonNICOTINAMIDE-ADENINE-DINUCLEOTIDE
2XMP1Ligand/IonXANTHOSINE-5'-MONOPHOSPHATE
Biological Unit 1 (2, 8)
No.NameCountTypeFull Name
1NAD4Ligand/IonNICOTINAMIDE-ADENINE-DINUCLEOTIDE
2XMP4Ligand/IonXANTHOSINE-5'-MONOPHOSPHATE

(-) Sites  (2, 2)

Asymmetric Unit (2, 2)
No.NameEvidenceResiduesDescription
1AC1SOFTWARESER A:83 , MET A:85 , ASN A:313 , GLY A:338 , SER A:339 , ILE A:340 , CYS A:341 , THR A:343 , ASP A:374 , GLY A:375 , GLY A:376 , MET A:395 , GLY A:397 , SER A:398 , TYR A:421 , GLY A:423 , MET A:424 , GLY A:425 , GLU A:458 , GLY A:459 , NAD A:602 , HOH A:725 , HOH A:762 , HOH A:765 , HOH A:780 , HOH A:820binding site for residue XMP A 601
2AC2SOFTWAREVAL A:59 , ARG A:108 , ASP A:283 , THR A:284 , ALA A:285 , HIS A:286 , ASN A:289 , THR A:343 , MET A:424 , GLU A:458 , ALA A:483 , GLY A:486 , TYR A:487 , XMP A:601 , HOH A:707 , HOH A:708 , HOH A:724 , HOH A:727 , HOH A:741binding site for residue NAD A 602

(-) SS Bonds  (0, 0)

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

(-) Cis Peptide Bonds  (1, 1)

Asymmetric Unit
No.Residues
1Gly A:312 -Asn A:313

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

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

(-) PROSITE Motifs  (0, 0)

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

(-) Exons   (0, 0)

(no "Exon" information available for 4ZQM)

(-) Sequences/Alignments

Asymmetric 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 A from PDB  Type:PROTEIN  Length:333
                                                                                                                                                                                                                                                                                                                                                                             
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..................hhh.eee.......hhhhh...ee.....ee...eee.......hhhhhhhhhhh..eeee....hhhhhhhhhhhhhh......eeee..hhhhhhhhhhhhhh...eeeee.....hhhhhhhhhhhhhhhh...eeeeeee.hhhhhhhhhhhh..eeee........hhhhhh....hhhhhhhhhhhhhhhhh..eeee....hhhhhhhhhhh...eeeehhhhhh........eee..eeeeeee..............eeeee...hhhhhhhhhhhhhhhhhhhhh..hhhhhh...eee.hhhhh Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4zqm A  28 DPVPTGGDDPHKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKKIRLKVPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVEMVKRSGGLLVGAAVGVGGDAWVRAMMLVDAGVDVLVVDTAHAHNRLVLDMVGKLKSEVGDRVEVVGGNVATRSAAAALVDAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACRPAGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAEAPGELIFVNGKQYKSYRGMGSLGAMLVPEGIEGRVPFRGPLSSVIHQLTGGLRAAMGYTGSPTIEVLQQAQFVRITPAGL 509
                                    37        47        57        67        77        87        97       107       117       127|      262       272       282       292       302       312       322       332       342       352       362       372       382       392       402       412       422       456       466       476       486       496       506   
                                                                                                                             127|                                                                                                                                                                              430|                                                      
                                                                                                                              253                                                                                                                                                                               455
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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 4ZQM)

(-) CATH Domains  (0, 0)

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

(-) Pfam Domains  (0, 0)

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

(-) Gene Ontology  (13, 13)

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    Gly A:312 - Asn A:313   [ RasMol ]  
 
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 Related Entries

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

UniProtKB/Swiss-Prot
        IMDH_MYCTU | P9WKI7: 4zqn 4zqo 4zqp 4zqr 5upu 5upv

(-) Related Entries Specified in the PDB File

4zqn 4zqo 4zqp 4zqr