3TMJ

Joint X-ray/neutron structure of human carbonic anhydrase II at pH 7.8

Summary for 3TMJ

• Entry DOI: 10.2210/pdb3tmj/pdb
• Descriptor: Carbonic anhydrase 2, ZINC ION (3 entities in total)
• Functional Keywords: h/d exchanged, joint neutron/x-ray refinement, lyase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 29136.19

Authors

Fisher, Z. (deposition date: 2011-08-31, release date: 2011-11-09, Last modification date: 2023-09-13)

Primary citation

Fisher, Z.,Kovalevsky, A.Y.,Mustyakimov, M.,Silverman, D.N.,McKenna, R.,Langan, P.
Neutron Structure of Human Carbonic Anhydrase II: A Hydrogen-Bonded Water Network "Switch" Is Observed between pH 7.8 and 10.0.
Biochemistry, 50:9421-9423, 2011

PubMed Abstract: The neutron structure of wild-type human carbonic anhydrase II at pH 7.8 has been determined to 2.0 Å resolution. Detailed analysis and comparison to the previously determined structure at pH 10.0 show important differences in the protonation of key catalytic residues in the active site as well as a rearrangement of the H-bonded water network. For the first time, a completed H-bonded network stretching from the Zn-bound solvent to the proton shuttling residue, His64, has been directly observed.

PubMed: 21988105
DOI: 10.1021/bi201487b

Experimental method

NEUTRON DIFFRACTION (2 Å)
X-RAY DIFFRACTION