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Structure paper

TitleTyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Journal, issue, pagesCommun Biol, Vol. 5, Page 346-346, Year 2022
Publish dateJul 16, 2020 (structure data deposition date)
AuthorsKoulouris, C.R. / Gardiner, S.E. / Harris, T.K. / Elvers, K.T. / Mark Roe, S. / Gillespie, J.A. / Ward, S.E. / Grubisha, O. / Nicholls, R.A. / Atack, J.R. / Bax, B.D.
External linksCommun Biol / PubMed:35410329
MethodsX-ray diffraction
Resolution1.53 - 1.865 Å
Structure data

PDB-6zsp:
Human serine racemase bound to ATP and malonate.
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6zuj:
Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen).
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7nbc:
Crystal structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen.
Method: X-RAY DIFFRACTION / Resolution: 1.71 Å

PDB-7nbd:
Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen.
Method: X-RAY DIFFRACTION / Resolution: 1.865 Å

PDB-7nbf:
Crystal structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen.
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7nbg:
Crystal structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen.
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-7nbh:
Crystal structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen.
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

Chemicals

ChemComp-IMD:
IMIDAZOLE

ChemComp-MG:
Unknown entry

ChemComp-MLI:
MALONATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-BP4:
biphenyl-4-ylacetic acid / antiinflammatory*YM

ChemComp-JFS:
[4-(1H-benzimidazol-1-yl)phenyl]methanol

ChemComp-T6J:
2-[(methylsulfonyl)methyl]-1H-benzimidazole

ChemComp-CL:
Unknown entry

ChemComp-U78:
~{N}-[2-(2-methylphenyl)ethyl]ethanamide

ChemComp-OXE:
ORTHO-XYLENE

ChemComp-W0D:
N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide

Source
  • homo sapiens (human)
KeywordsISOMERASE / PLP-dependent / D-serine / ATP / forebrain / Racemase / XChem / Inhibitor

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