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Structure paper

TitleUnraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Journal, issue, pagesChem. Biol., Vol. 22, Page 1622-, Year 2015
Publish dateJul 9, 2014 (structure data deposition date)
AuthorsVivoli, M. / Isupov, M.N. / Nicholas, R. / Hill, A. / Scott, A.E. / Kosma, P. / Prior, J.L. / Harmer, N.J.
External linksChem. Biol. / PubMed:26687481
MethodsX-ray diffraction
Resolution1.76 - 1.94 Å
Structure data

PDB-4usk:
Unravelling the B. pseudomallei heptokinase WcbL: from Structure to Drug Discovery.
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-4usm:
WcbL complex with glycerol bound to sugar site
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-4ut4:
Burkholderia pseudomallei heptokinase WcbL, D-mannose complex.
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-4utg:
Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

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

ChemComp-CL:
Unknown entry

ChemComp-PGO:
S-1,2-PROPANEDIOL

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-MAN:
alpha-D-mannopyranose

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • burkholderia pseudomallei k96243 (bacteria)
KeywordsTRANSFERASE / CAPSULAR POLYSACCHARIDE / HEPTOPYRANOSE / DRUG DISCOVERY

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