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Zinc in PDB 5t74: Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14

Enzymatic activity of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14

All present enzymatic activity of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14:
4.2.1.1;

Protein crystallography data

The structure of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14, PDB code: 5t74 was solved by K.H.Dubay, K.Iwan, L.Osorio-Planes, P.Geissler, M.Groll, D.Trauner, J.Broichhagen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.380, 41.380, 72.020, 90.00, 104.09, 90.00
R / Rfree (%) 14.9 / 16.9

Other elements in 5t74:

The structure of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14 also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14 (pdb code 5t74). 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 Carboanhydrase F131C_C206S Double Mutant in Complex with 14, PDB code: 5t74:

Zinc binding site 1 out of 1 in 5t74

Go back to Zinc Binding Sites List in 5t74
Zinc binding site 1 out of 1 in the Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carboanhydrase F131C_C206S Double Mutant in Complex with 14 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:5.0
occ:1.00
 NE2 A:HIS96 2.1 5.6 1.0
ND1 A:HIS119 2.1 4.7 1.0
NE2 A:HIS94 2.1 5.8 1.0
N8 A:75Y303 2.1 5.7 1.0
CE1 A:HIS119 2.9 4.8 1.0
O10 A:75Y303 3.0 6.1 1.0
CD2 A:HIS96 3.0 5.7 1.0
CD2 A:HIS94 3.0 6.3 1.0
S18 A:75Y303 3.0 6.1 1.0
CE1 A:HIS96 3.1 6.2 1.0
CE1 A:HIS94 3.1 6.1 1.0
CG A:HIS119 3.2 4.8 1.0
CB A:HIS119 3.6 4.8 1.0
OG1 A:THR198 3.9 6.0 1.0
OE1 A:GLU106 4.0 6.7 1.0
NE2 A:HIS119 4.1 5.2 1.0
C4 A:75Y303 4.2 7.4 1.0
O9 A:75Y303 4.2 6.8 1.0
CG A:HIS96 4.2 6.0 1.0
CG A:HIS94 4.2 6.2 1.0
ND1 A:HIS96 4.2 6.6 1.0
ND1 A:HIS94 4.2 6.2 1.0
CD2 A:HIS119 4.2 4.9 1.0
N A:TRS304 4.7 18.5 1.0
C3 A:TRS304 4.7 16.9 1.0
C5 A:75Y303 4.8 8.8 1.0
CD A:GLU106 4.9 6.3 1.0
C3 A:75Y303 5.0 8.7 1.0

Reference:

K.H.Dubay, K.Iwan, L.Osorio-Planes, P.L.Geissler, M.Groll, D.Trauner, J.Broichhagen. A Predictive Approach For the Optical Control of Carbonic Anhydrase II Activity. Acs Chem. Biol. V. 13 793 2018.
ISSN: ESSN 1554-8937
PubMed: 29357237
DOI: 10.1021/ACSCHEMBIO.7B00862
Page generated: Mon Oct 28 08:21:07 2024

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