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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: 1 out of 5- Experimental evidence at protein leveli

Functioni

Sites

Feature keyPosition(s)LengthDescriptionGraphical viewFeature identifierActions
Binding sitei14 – 141Methotrexate
Binding sitei14 – 141SubstrateImported
Active sitei161 – 1611Proton donor/acceptorImported
Active sitei174 – 1741Proton donor/acceptorImported
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...

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.
ModBaseiSearch...
MobiDBiSearch...

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

        10         20         30         40         50
MEAPAAVVTG AAKRIGRAIA VKLHQTGYRV VIHYHNSAEA AVSLADELNK
60 70 80 90 100
ERSNTAVVCQ ADLTNSNVLP ASCEEIINSC FRAFGRCDVL VNNASAFYPT
110 120 130 140 150
PLVQGDHEDN SNGKTVETQV AELIGTNAIA PFLLTMSFAQ RQKGTNPNCT
160 170 180 190 200
SSNLSIVNLC DAMVDQPCMA FSLYNMGKHA LVGLTQSAAL ELAPYGIRVN
210 220 230 240 250
GVAPGVSLLP VAMGEEEKDK WRRKVPLGRR EASAEQIADA VIFLVSGSAQ
260
YITGSIIKVD GGLSLVHA
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...
MobiDBi 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 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: October 29, 2014
This is version 77 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