3KCL

Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM)

Summary for 3KCL

Related3KBJ 3KBM 3KBN 3KBS 3KBV 3KBW 3KCJ 3KCO
DescriptorXylose isomerase, CADMIUM ION, ALPHA-D-GLUCOSE, ... (4 entities in total)
Functional Keywordsxylose isomerase, deuterated glucose, carbohydrate metabolism, metal-binding, pentose shunt, xylose metabolism, isomerase
Biological sourceStreptomyces rubiginosus
Cellular locationCytoplasm P24300
Total number of polymer chains1
Total molecular weight43688.28
Authors
Kovalevsky, A.Y.,Langan, P. (deposition date: 2009-10-21, release date: 2010-06-16, Last modification date: 2017-11-01)
Primary citation
Kovalevsky, A.Y.,Hanson, L.,Fisher, S.Z.,Mustyakimov, M.,Mason, S.A.,Forsyth, V.T.,Blakeley, M.P.,Keen, D.A.,Wagner, T.,Carrell, H.L.,Katz, A.K.,Glusker, J.P.,Langan, P.
Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18:688-699, 2010
PubMed: 20541506 (PDB entries with the same primary citation)
DOI: 10.1016/j.str.2010.03.011
MImport into Mendeley
Experimental method
NEUTRON DIFFRACTION (2 Å)
X-RAY DIFFRACTION (2 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers20.3%3.0%1.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3kcl
no rotation
Molmil generated image of 3kcl
rotated about x axis by 90°
Molmil generated image of 3kcl
rotated about y axis by 90°

More Biological unit images

Molmil generated image of 3kcl
no rotation
Molmil generated image of 3kcl
rotated about x axis by 90°
Molmil generated image of 3kcl
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (3kcl.pdb1.gz [480.62 KB])