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O76290

- O76290_TRYBB

UniProt

O76290 - O76290_TRYBB

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Protein
Submitted name: Pteridine reductase
Gene
PTR1
Organism
Trypanosoma brucei brucei
Status
Unreviewed - Annotation score: 3 out of 5 - Experimental evidence at protein leveli

Functioni

Sites

Feature keyPosition(s)LengthDescriptionGraphical viewFeature identifierActions
Binding sitei14 – 141Methotrexate
Binding sitei14 – 141Substrate
Active sitei161 – 1611Proton donor/acceptor
Active sitei174 – 1741Proton donor/acceptor
Binding sitei174 – 1741Methotrexate
Binding sitei174 – 1741NADPImported
Binding sitei178 – 1781NADPImported
Binding sitei217 – 2171Methotrexate
Binding sitei221 – 2211Methotrexate

Regions

Feature keyPosition(s)LengthDescriptionGraphical viewFeature identifierActions
Nucleotide bindingi14 – 152NADPImported
Nucleotide bindingi35 – 373NADPImported
Nucleotide bindingi62 – 643NADPImported
Nucleotide bindingi93 – 953NADPImported
Nucleotide bindingi204 – 2085NADPImported

GO - Molecular functioni

  1. nucleotide binding Source: UniProtKB-KW
  2. oxidoreductase activity Source: InterPro
Complete GO annotation...

GO - Biological processi

    Complete GO annotation...

    Keywords - Ligandi

    NADPImported, Nucleotide-bindingImported

    Names & Taxonomyi

    Protein namesi
    Submitted name:
    Pteridine reductaseImported
    Gene namesi
    Name:PTR1Imported
    OrganismiTrypanosoma brucei bruceiImported
    Taxonomic identifieri5702 [NCBI]
    Taxonomic lineageiEukaryotaEuglenozoaKinetoplastidaTrypanosomatidaeTrypanosoma

    Interactioni

    Protein-protein interaction databases

    STRINGi5691.Tb927.8.2210.

    Structurei

    3D structure databases

    Select the link destinations:
    PDBe
    RCSB PDB
    PDBj
    Links Updated
    EntryMethodResolution (Å)ChainPositionsPDBsum
    2C7VX-ray2.20A/B/C/D1-268[»]
    2VZ0X-ray1.90A/B/C/D1-268[»]
    2WD7X-ray1.90A/B/C/D1-268[»]
    2WD8X-ray2.10A/B/C/D1-268[»]
    2X9GX-ray1.10A/B/C/D1-268[»]
    2X9NX-ray1.15A/B/C/D1-268[»]
    2X9VX-ray1.30A/B/C/D1-268[»]
    2YHUX-ray2.01A/B/C/D1-268[»]
    3BMCX-ray2.60A/B/C/D1-268[»]
    3BMNX-ray1.98A/B/C/D1-268[»]
    3BMOX-ray1.60A/B/C/D1-268[»]
    3BMQX-ray1.70A/B/C/D1-268[»]
    3GN1X-ray2.00A/B/C/D1-268[»]
    3GN2X-ray1.60A/B/C/D1-268[»]
    3MCVX-ray1.70A/B/C/D1-268[»]
    ProteinModelPortaliO76290.
    SMRiO76290. Positions 2-268.

    Miscellaneous databases

    EvolutionaryTraceiO76290.

    Family & Domainsi

    Region

    Feature keyPosition(s)LengthDescriptionGraphical viewFeature identifierActions
    Regioni95 – 973Methotrexate binding

    Family and domain databases

    Gene3Di3.40.50.720. 1 hit.
    InterProiIPR002198. DH_sc/Rdtase_SDR.
    IPR002347. Glc/ribitol_DH.
    IPR016040. NAD(P)-bd_dom.
    IPR014058. Pteridine_reductase.
    IPR020904. Sc_DH/Rdtase_CS.
    [Graphical view]
    PRINTSiPR00081. GDHRDH.
    PR00080. SDRFAMILY.
    TIGRFAMsiTIGR02685. pter_reduc_Leis. 1 hit.
    PROSITEiPS00061. ADH_SHORT. 1 hit.
    [Graphical view]

    Sequencei

    Sequence statusi: Complete.

    O76290-1 [UniParc]FASTAAdd to Basket

    « Hide

    MEAPAAVVTG AAKRIGRAIA VKLHQTGYRV VIHYHNSAEA AVSLADELNK    50
    ERSNTAVVCQ ADLTNSNVLP ASCEEIINSC FRAFGRCDVL VNNASAFYPT 100
    PLVQGDHEDN SNGKTVETQV AELIGTNAIA PFLLTMSFAQ RQKGTNPNCT 150
    SSNLSIVNLC DAMVDQPCMA FSLYNMGKHA LVGLTQSAAL ELAPYGIRVN 200
    GVAPGVSLLP VAMGEEEKDK WRRKVPLGRR EASAEQIADA VIFLVSGSAQ 250
    YITGSIIKVD GGLSLVHA 268
    Length:268
    Mass (Da):28,470
    Last modified:November 1, 1998 - v1
    Checksum:i346C8257BDC9DD3D
    GO

    Sequence databases

    Select the link destinations:
    EMBL
    GenBank
    DDBJ
    Links Updated
    AF049903 mRNA. Translation: AAC23562.1.

    Cross-referencesi

    Sequence databases

    Select the link destinations:
    EMBL
    GenBank
    DDBJ
    Links Updated
    AF049903 mRNA. Translation: AAC23562.1 .

    3D structure databases

    Select the link destinations:
    PDBe
    RCSB PDB
    PDBj
    Links Updated
    Entry Method Resolution (Å) Chain Positions PDBsum
    2C7V X-ray 2.20 A/B/C/D 1-268 [» ]
    2VZ0 X-ray 1.90 A/B/C/D 1-268 [» ]
    2WD7 X-ray 1.90 A/B/C/D 1-268 [» ]
    2WD8 X-ray 2.10 A/B/C/D 1-268 [» ]
    2X9G X-ray 1.10 A/B/C/D 1-268 [» ]
    2X9N X-ray 1.15 A/B/C/D 1-268 [» ]
    2X9V X-ray 1.30 A/B/C/D 1-268 [» ]
    2YHU X-ray 2.01 A/B/C/D 1-268 [» ]
    3BMC X-ray 2.60 A/B/C/D 1-268 [» ]
    3BMN X-ray 1.98 A/B/C/D 1-268 [» ]
    3BMO X-ray 1.60 A/B/C/D 1-268 [» ]
    3BMQ X-ray 1.70 A/B/C/D 1-268 [» ]
    3GN1 X-ray 2.00 A/B/C/D 1-268 [» ]
    3GN2 X-ray 1.60 A/B/C/D 1-268 [» ]
    3MCV X-ray 1.70 A/B/C/D 1-268 [» ]
    ProteinModelPortali O76290.
    SMRi O76290. Positions 2-268.
    ModBasei Search...

    Protein-protein interaction databases

    STRINGi 5691.Tb927.8.2210.

    Protocols and materials databases

    Structural Biology Knowledgebase Search...

    Miscellaneous databases

    EvolutionaryTracei O76290.

    Family and domain databases

    Gene3Di 3.40.50.720. 1 hit.
    InterProi IPR002198. DH_sc/Rdtase_SDR.
    IPR002347. Glc/ribitol_DH.
    IPR016040. NAD(P)-bd_dom.
    IPR014058. Pteridine_reductase.
    IPR020904. Sc_DH/Rdtase_CS.
    [Graphical view ]
    PRINTSi PR00081. GDHRDH.
    PR00080. SDRFAMILY.
    TIGRFAMsi TIGR02685. pter_reduc_Leis. 1 hit.
    PROSITEi PS00061. ADH_SHORT. 1 hit.
    [Graphical view ]
    ProtoNeti Search...

    Publicationsi

    1. Detke S.
      Submitted (FEB-1998) to the EMBL/GenBank/DDBJ databases
      Cited for: NUCLEOTIDE SEQUENCE.
    2. "Structure and reactivity of Trypanosoma brucei pteridine reductase: inhibition by the archetypal antifolate methotrexate."
      Dawson A., Gibellini F., Sienkiewicz N., Tulloch L.B., Fyfe P.K., McLuskey K., Fairlamb A.H., Hunter W.N.
      Mol. Microbiol. 61:1457-1468(2006) [PubMed] [Europe PMC] [Abstract]
      Cited for: X-RAY CRYSTALLOGRAPHY (2.20 ANGSTROMS) IN COMPLEX WITH METHOTREXATE AND NADP, ACTIVE SITE.
    3. "One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening."
      Mpamhanga C.P., Spinks D., Tulloch L.B., Shanks E.J., Robinson D.A., Collie I.T., Fairlamb A.H., Wyatt P.G., Frearson J.A., Hunter W.N., Gilbert I.H., Brenk R.
      J. Med. Chem. 52:4454-4465(2009) [PubMed] [Europe PMC] [Abstract]
      Cited for: X-RAY CRYSTALLOGRAPHY (1.60 ANGSTROMS) IN COMPLEX WITH NADP.
    4. "High-resolution structures of Trypanosoma brucei pteridine reductase ligand complexes inform on the placement of new molecular entities in the active site of a potential drug target."
      Dawson A., Tulloch L.B., Barrack K.L., Hunter W.N.
      Acta Crystallogr. D 66:1334-1340(2010) [PubMed] [Europe PMC] [Abstract]
      Cited for: X-RAY CRYSTALLOGRAPHY (1.10 ANGSTROMS) IN COMPLEX WITH NADP.
    5. "Development and validation of a cytochrome c-coupled assay for pteridine reductase 1 and dihydrofolate reductase."
      Shanks E.J., Ong H.B., Robinson D.A., Thompson S., Sienkiewicz N., Fairlamb A.H., Frearson J.A.
      Anal. Biochem. 396:194-203(2010) [PubMed] [Europe PMC] [Abstract]
      Cited for: X-RAY CRYSTALLOGRAPHY (1.90 ANGSTROMS) IN COMPLEX WITH NADP.
    6. "Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases."
      Tulloch L.B., Martini V.P., Iulek J., Huggan J.K., Lee J.H., Gibson C.L., Smith T.K., Suckling C.J., Hunter W.N.
      J. Med. Chem. 53:221-229(2010) [PubMed] [Europe PMC] [Abstract]
      Cited for: X-RAY CRYSTALLOGRAPHY (1.60 ANGSTROMS) IN COMPLEX WITH NADP.
    7. "Structural Studies of Thiadiazole Derivatives that Inhibit Trypanosoma Brucei Growth."
      Nerini E., Dawson A., Hannaert V., Michels P.A., Hunter W.N., Costi M.P.
      Submitted (MAY-2011) to the PDB data bank
      Cited for: X-RAY CRYSTALLOGRAPHY (2.01 ANGSTROMS) IN COMPLEX WITH NADP.

    Entry informationi

    Entry nameiO76290_TRYBB
    AccessioniPrimary (citable) accession number: O76290
    Entry historyi
    Integrated into UniProtKB/TrEMBL: November 1, 1998
    Last sequence update: November 1, 1998
    Last modified: September 3, 2014
    This is version 75 of the entry and version 1 of the sequence. [Complete history]
    Entry statusiUnreviewed (UniProtKB/TrEMBL)

    Miscellaneousi

    Keywords - Technical termi

    3D-structureImported

    External Data

    Dasty 3

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