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Structure paper

TitleGround-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Journal, issue, pagesNat Catal, Vol. 5, Page 332-341, Year 2022
Publish dateApr 28, 2020 (structure data deposition date)
AuthorsRindfleisch, S. / Krull, M. / Uranga, J. / Schmidt, T. / Rabe von Pappenheim, F. / Kirck, L.L. / Balouri, A. / Schneider, T. / Chari, A. / Kluger, R. ...Rindfleisch, S. / Krull, M. / Uranga, J. / Schmidt, T. / Rabe von Pappenheim, F. / Kirck, L.L. / Balouri, A. / Schneider, T. / Chari, A. / Kluger, R. / Bourenkov, G. / Diederichsen, U. / Mata, R.A. / Tittmann, K.
External linksNat Catal / Search PubMed
MethodsX-ray diffraction
Resolution0.9 - 1.31 Å
Structure data

PDB-6yvk:
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 0.71 MGy exposure
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6yvl:
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 1.42 MGy exposure
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6yvm:
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.13 MGy exposure
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6yvn:
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.84 MGy exposure
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6yvo:
Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 3.55 MGy exposure
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6ywt:
Human OMPD-domain of UMPS (K314AcK) in complex with 6-hydroxy-UMP at 1.05 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-6ywu:
Human OMPD-domain of UMPS (K314AcK) in complex with UMP at 1.1 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-6zwy:
OMPD-domain of human UMPS in complex with UMP at 1.0 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-6zwz:
Resting state structure of the OMPD-domain of human UMPS variant (K314AcK) at 1.2 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-6zx0:
OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6zx1:
OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-6zx2:
OMPD-domain of human UMPS in complex with 6-carboxamido-UMP at 1.2 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-6zx3:
OMPD-domain of human UMPS in complex with 6-thiocarboxamido-UMP at 1.15 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-7am9:
OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7asq:
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the reaction product UMP at 0.95 Angstrom resolution
Method: X-RAY DIFFRACTION / Resolution: 0.95 Å

PDB-7oqf:
Human OMPD-domain of UMPS in complex with OMP at 1.05 Angstrom resolution, 5 minutes soaking
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-7oqi:
Human OMPD-domain of UMPS in complex with substrate OMP at 1.15 Angstrom resolution, 10 minutes soaking
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-7oqk:
Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 15 minutes soaking
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-7oqm:
Human OMPD-domain of UMPS in complex with substrate OMP at 1.05 Angstroms resolution, 20 minutes soaking
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-7oqn:
Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 30 minutes soaking
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-7otu:
Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.95 Angstroms resolution, crystal 2
Method: X-RAY DIFFRACTION / Resolution: 0.95 Å

PDB-7ouz:
Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.9 Angstroms resolution, crystal 1
Method: X-RAY DIFFRACTION / Resolution: 0.9 Å

PDB-7ov0:
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state at 0.95 Angstrom resolution
Method: X-RAY DIFFRACTION / Resolution: 0.95 Å

PDB-7q1h:
Variant D312N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the substrate OMP at 1.31 Angstrom resolution
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

Chemicals

ChemComp-OMP:
OROTIDINE-5'-MONOPHOSPHATE

ChemComp-U:
URIDINE-5'-MONOPHOSPHATE

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-BMP:
6-HYDROXYURIDINE-5'-PHOSPHATE

ChemComp-PRO:
PROLINE

ChemComp-U5P:
URIDINE-5'-MONOPHOSPHATE

ChemComp-UP6:
6-AZA URIDINE 5'-MONOPHOSPHATE

ChemComp-QRT:
[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

ChemComp-QRZ:
[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

ChemComp-NA:
Unknown entry

Source
  • homo sapiens (human)
KeywordsLYASE / OMPD / OMP / UMPS / Orotidine 5'-monophosphate decarboxylase / BMP / UMP / 6-carboxamido-UMP / NUCLEIC ACID METABOLISM

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