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Zinc in PDB 6sac: N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment

Enzymatic activity of N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment

All present enzymatic activity of N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment:
4.2.1.1;

Protein crystallography data

The structure of N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment, PDB code: 6sac was solved by S.Gloeckner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.95 / 1.02
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.374, 41.286, 72.281, 90.00, 104.82, 90.00
R / Rfree (%) 12.6 / 14.2

Other elements in 6sac:

The structure of N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment also contains other interesting chemical elements:

Mercury (Hg) 2 atoms
Sodium (Na) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment (pdb code 6sac). 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 N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment, PDB code: 6sac:

Zinc binding site 1 out of 1 in 6sac

Go back to Zinc Binding Sites List in 6sac
Zinc binding site 1 out of 1 in the N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of N-Terminal Expression Tag Remainder of Human Carbonic Anhydrase II Covalently Modified By Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn303

b:5.8
occ:1.00
 O A:HOH454 1.9 9.4 1.0
NE2 A:HIS94 2.0 5.6 1.0
NE2 A:HIS96 2.0 5.9 1.0
ND1 A:HIS119 2.0 5.4 1.0
CE1 A:HIS119 2.9 5.5 1.0
CD2 A:HIS94 3.0 5.8 1.0
CE1 A:HIS94 3.0 6.0 1.0
CE1 A:HIS96 3.0 6.6 1.0
CD2 A:HIS96 3.0 5.8 1.0
HE1 A:HIS119 3.0 6.6 1.0
CG A:HIS119 3.1 4.9 1.0
HD2 A:HIS94 3.1 6.9 1.0
HB2 A:HIS119 3.2 6.4 1.0
HD2 A:HIS96 3.2 7.0 1.0
HE1 A:HIS96 3.2 7.9 1.0
HE1 A:HIS94 3.2 7.2 1.0
HG1 A:THR199 3.5 7.6 1.0
CB A:HIS119 3.6 5.3 1.0
O A:HOH458 3.6 11.9 1.0
OG1 A:THR199 3.8 6.3 1.0
HB3 A:HIS119 3.8 6.4 1.0
O A:HOH552 4.0 14.3 1.0
OE1 A:GLU106 4.0 6.1 1.0
NE2 A:HIS119 4.1 5.7 1.0
ND1 A:HIS94 4.1 6.1 1.0
CG A:HIS94 4.1 5.9 1.0
ND1 A:HIS96 4.1 6.8 1.0
CG A:HIS96 4.2 5.8 1.0
CD2 A:HIS119 4.2 5.7 1.0
O A:HOH570 4.3 21.4 1.0
HH2 A:TRP209 4.3 8.6 1.0
HG23 A:THR200 4.7 10.5 1.0
HE2 A:HIS119 4.8 6.9 1.0
H A:THR199 4.9 7.3 1.0
HD1 A:HIS94 4.9 7.3 1.0
HD1 A:HIS96 4.9 8.1 1.0
CD A:GLU106 4.9 6.2 1.0

Reference:

S.Glockner, A.Heine, G.Klebe. A Proof-of-Concept Fragment Screening of A Hit-Validated 96-Compounds Library Against Human Carbonic Anhydrase II. Biomolecules V. 10 2020.
ISSN: ESSN 2218-273X
PubMed: 32235320
DOI: 10.3390/BIOM10040518
Page generated: Tue Oct 29 07:04:18 2024

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