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Zinc in PDB 5ehv: Human Carbonic Anhydrase II in Complex with Ligand

Enzymatic activity of Human Carbonic Anhydrase II in Complex with Ligand

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Ligand:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with Ligand, PDB code: 5ehv was solved by B.Ren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.79 / 1.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.139, 41.332, 72.106, 90.00, 104.25, 90.00
R / Rfree (%) 15.3 / 17.5

Other elements in 5ehv:

The structure of Human Carbonic Anhydrase II in Complex with Ligand also contains other interesting chemical elements:

Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with Ligand (pdb code 5ehv). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Carbonic Anhydrase II in Complex with Ligand, PDB code: 5ehv:

Zinc binding site 1 out of 1 in 5ehv

Go back to Zinc Binding Sites List in 5ehv
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Ligand


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II in Complex with Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:7.1
occ:1.00
O18 A:5ON301 1.9 11.3 0.8
NE2 A:HIS94 2.0 7.6 1.0
NE2 A:HIS96 2.0 7.2 1.0
ND1 A:HIS119 2.0 6.3 1.0
C17 A:5ON301 2.7 12.2 0.8
O19 A:5ON301 2.8 15.1 0.8
CE1 A:HIS119 2.9 6.0 1.0
CD2 A:HIS94 3.0 7.7 1.0
CE1 A:HIS96 3.0 7.4 1.0
CD2 A:HIS96 3.0 6.9 1.0
CE1 A:HIS94 3.0 7.7 1.0
CG A:HIS119 3.1 5.4 1.0
CB A:HIS119 3.6 6.9 1.0
OG1 A:THR198 3.8 7.6 1.0
OE1 A:GLU106 4.0 7.5 1.0
NE2 A:HIS119 4.1 6.4 1.0
ND1 A:HIS94 4.1 8.3 1.0
ND1 A:HIS96 4.1 8.1 1.0
CG A:HIS94 4.1 7.7 1.0
CG A:HIS96 4.2 6.9 1.0
C16 A:5ON301 4.2 10.3 0.8
O A:HOH440 4.2 16.8 1.0
CD2 A:HIS119 4.2 6.4 1.0
O A:HOH488 4.5 23.2 1.0
C14 A:5ON301 4.9 14.8 0.8
CD A:GLU106 4.9 6.8 1.0
C15 A:5ON301 5.0 11.6 0.8

Reference:

L.A.Woods, O.Dolezal, B.Ren, J.H.Ryan, T.S.Peat, S.A.Poulsen. Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly As A Fragment Screening Combination. J.Med.Chem. V. 59 2192 2016.
ISSN: ISSN 0022-2623
PubMed: 26882437
DOI: 10.1021/ACS.JMEDCHEM.5B01940
Page generated: Wed Dec 16 06:09:59 2020

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