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Structure paper

TitleActive site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Journal, issue, pagesNat Commun, Vol. 15, Page 3785-3785, Year 2024
Publish dateDec 31, 2023 (structure data deposition date)
AuthorsMealka, M. / Sierra, N.A. / Avellaneda Matteo, D. / Albekioni, E. / Khoury, R. / Mai, T. / Conley, B.M. / Coleman, N.J. / Sabo, K.A. / Komives, E.A. ...Mealka, M. / Sierra, N.A. / Avellaneda Matteo, D. / Albekioni, E. / Khoury, R. / Mai, T. / Conley, B.M. / Coleman, N.J. / Sabo, K.A. / Komives, E.A. / Bobkov, A.A. / Cooksy, A.L. / Silletti, S. / Schiffer, J.M. / Huxford, T. / Sohl, C.D.
External linksNat Commun / PubMed:38710674
MethodsX-ray diffraction
Resolution1.89 - 2.44 Å
Structure data

PDB-8vh9:
Crystal Structure of Human IDH1 R132Q in complex with NADPH
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-8vha:
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-8vhb:
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-8vhc:
Crystal Structure of Human IDH1 R132Q in complex with NADPH
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

PDB-8vhd:
Crystal Structure of Human IDH1 R132Q in complex with NADPH and Isocitrate
Method: X-RAY DIFFRACTION / Resolution: 2.38 Å

PDB-8vhe:
Crystal Structure of Human IDH1 R132Q in Complex with NADPH-TCEP Adduct
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

ChemComp-EE1:
(3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid

ChemComp-NO3:
NITRATE ION

ChemComp-CA:
Unknown entry

ChemComp-AKG:
2-OXOGLUTARIC ACID

ChemComp-SCN:
THIOCYANATE ION

ChemComp-CL:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-SO4:
SULFATE ION

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-IOD:
IODIDE ION

ChemComp-ICT:
ISOCITRIC ACID

PDB-1aax:
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE

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