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(-) Description

Title :  CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THE INOSINE MONOPHOSPHATE DEHYDROGENASE FROM MYCOBACTERIUM TUBERCULOSIS IN THE PRESENCE OF G36
 
Authors :  Y. Kim, N. Maltseva, R. Mulligan, M. Makowska-Grzyska, M. Gu, W. F. Ande A. Joachimiak, Center For Structural Genomics Of Infectious D (Csgid)
Date :  04 Feb 17  (Deposition) - 22 Feb 17  (Release) - 12 Apr 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.63
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (4x)
Keywords :  Impdh, Delta Cbs, Structural Genomics, Center For Structural Genomics Of Infectious Diseases, Csgid, Oxidoreductase, Oxidoreductase- Oxidoreductase Inhibitor Complex (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  Y. Kim, N. Maltseva, R. Mulligan, M. Makowska-Grzyska, M. Gu, W. F. Anderson, A. Joachimiak, Center For Structural Genomics Of Infectious Diseases (Csgid)
Crystal Structure Of The Catalytic Domain Of The Inosine Monophosphate Dehydrogenase From Mycobacterium Tuberculosis In The Presence Of G36
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE
    Chains: A
    EC Number: 1.1.1.205
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PMCSG7
    Expression System Strain: BM21(DE3) MAGIC
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Gene: GUAB, GUAB2, RV3411C, MTCY78.17
    Mutation: YES
    Organism Scientific: MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCC 25618 / H37RV)
    Organism Taxid: 83332
    Strain: ATCC 25618 / H37RV
    Synonym: IMPDH,IMPDH2

 Structural Features

(-) Chains, Units

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

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (4, 8)

Asymmetric Unit (4, 8)
No.NameCountTypeFull Name
18KV1Ligand/IonN-{(1S)-1-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]ETHYL}-N'-PHENYLUREA
2EDO3Ligand/Ion1,2-ETHANEDIOL
3FMT3Ligand/IonFORMIC ACID
4IMP1Ligand/IonINOSINIC ACID
Biological Unit 1 (4, 32)
No.NameCountTypeFull Name
18KV4Ligand/IonN-{(1S)-1-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]ETHYL}-N'-PHENYLUREA
2EDO12Ligand/Ion1,2-ETHANEDIOL
3FMT12Ligand/IonFORMIC ACID
4IMP4Ligand/IonINOSINIC ACID

(-) Sites  (8, 8)

Asymmetric Unit (8, 8)
No.NameEvidenceResiduesDescription
1AC1SOFTWARESER A:83 , MET A:85 , ASN A:313 , GLY A:338 , SER A:339 , ILE A:340 , CYS A:341 , 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 , 8KV A:602 , EDO A:607 , HOH A:719 , HOH A:749 , HOH A:756 , HOH A:775 , HOH A:816binding site for residue IMP A 601
2AC2SOFTWAREPRO A:61 , MET A:424 , GLY A:425 , LEU A:455 , VAL A:456 , GLU A:458 , TYR A:487 , IMP A:601 , FMT A:603binding site for residue 8KV A 602
3AC3SOFTWARETHR A:284 , ALA A:285 , 8KV A:602 , HOH A:758binding site for residue FMT A 603
4AC4SOFTWARELEU A:53 , ALA A:315 , ALA A:351 , ALA A:356 , GLU A:359 , HOH A:710 , HOH A:745 , HOH A:807binding site for residue EDO A 604
5AC5SOFTWAREASP A:36 , GLN A:498 , HOH A:798binding site for residue FMT A 605
6AC6SOFTWAREALA A:56 , SER A:57 , ASP A:58 , HIS A:288 , ASN A:289 , ARG A:290 , LEU A:293binding site for residue EDO A 606
7AC7SOFTWAREALA A:285 , ASN A:313 , GLY A:334 , VAL A:335 , GLY A:336 , CYS A:341 , IMP A:601 , HOH A:714 , HOH A:787binding site for residue EDO A 607
8AC8SOFTWAREARG A:92 , ALA A:404 , GLU A:405 , ALA A:406 , HOH A:827binding site for residue FMT A 608

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5UPV)

(-) 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 5UPV)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5UPV)

(-) Exons   (0, 0)

(no "Exon" information available for 5UPV)

(-) Sequences/Alignments

Asymmetric Unit
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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:352
                                                                                                                                                                                                                                                                                                                                                                                                
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...................hhh.eee...............ee.....ee...eee.......hhhhhhhhhhh..eeee....hhhhhhhhhhhhhh......eeee..hhhhhhhhhhhhhh...eeeee.....hhhhhhhhhhhhhhhh...eeeeeee.hhhhhhhhhhh...eeee........hhhhhh....hhhhhhhhhhhhhhhhh..eeee....hhhhhhhhhhh...eeeehhhhhh.......eeee..eeeeeee...hhhhhh......eeeee...hhhhhhhhhhhhhhhhhhhhh..hhhhhh...eee.hhhhhhhhh............. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5upv A  27 TDPVPTGGDDPHKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKKIRLKVPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVEMVKRSGGLLVGAAVGVGGDAWVRAMMLVDAGVDVLVVDTAHAHNRLVLDMVGKLKSEVGDRVEVVGGNVATRSAAAALVDAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACRPAGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAEAPGELIFVNGKQYKSYRGMGSLGAMRLVPEGIEGRVPFRGPLSSVIHQLTGGLRAAMGYTGSPTIEVLQQAQFVRITPAGLKESHPHDVAMTVEAPNY 526
                                    36        46        56        66        76        86        96       106       116       126||     261       271       281       291       301       311       321       331       341       351       361       371       381       391       401       411       421       431|      464       474       484       494       504       514       524  
                                                                                                                              127|                                                                                                                                                                               431|                                                                       
                                                                                                                               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 5UPV)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5UPV)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5UPV)

(-) Gene Ontology  (13, 13)

Asymmetric Unit(hide GO term definitions)

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  1.1.1.205
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 Related Entries

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

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

(-) Related Entries Specified in the PDB File

4zqm THE SAME PROTEIN IN THE PRESENCE OF XMP AND NAD
4zqn THE SAME PROTEIN IN THE PRESENCE OF IMP AND P41
4zqo THE SAME PROTEIN IN THE PRESENCE OF IMP AND Q67
4zqp THE SAME PROTEIN IN THE PRESENCE OF IMP AND MAD1
4zqr THE SAME PROTEIN, APP-FORM
5upu THE SAME PROTEIN IN THE PRESENCE OF IMP AND G36 RELATED ID: CSGID-IDP91646 RELATED DB: TARGETTRACK