Zinc in PDB 3m5t: Fragment Tethered to Carbonic Anhydrase II H64C Mutant

All present enzymatic activity of Fragment Tethered to Carbonic Anhydrase II H64C Mutant:
4.2.1.1;

The structure of Fragment Tethered to Carbonic Anhydrase II H64C Mutant, PDB code: 3m5t was solved by J.Schulze Wischeler, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.800, 41.300, 72.100, 90.00, 104.30, 90.00
R / Rfree (%)	17.6 / 25

The binding sites of Zinc atom in the Fragment Tethered to Carbonic Anhydrase II H64C Mutant (pdb code 3m5t). 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 Fragment Tethered to Carbonic Anhydrase II H64C Mutant, PDB code: 3m5t:

Zinc binding site 1 out of 1 in the Fragment Tethered to Carbonic Anhydrase II H64C Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Fragment Tethered to Carbonic Anhydrase II H64C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:22.7 occ:1.00 NE2 A:HIS94 2.0 20.5 1.0 ND1 A:HIS119 2.0 17.0 1.0 O1 A:CO3502 2.1 34.3 1.0 NE2 A:HIS96 2.1 20.2 1.0 O3 A:CO3502 2.4 33.0 1.0 C A:CO3502 2.5 36.2 1.0 CE1 A:HIS119 2.8 15.9 1.0 CD2 A:HIS94 2.9 19.7 1.0 CD2 A:HIS96 3.1 20.5 1.0 CE1 A:HIS94 3.1 23.5 1.0 CG A:HIS119 3.1 16.1 1.0 CE1 A:HIS96 3.2 15.6 1.0 CB A:HIS119 3.6 14.7 1.0 O2 A:CO3502 3.7 29.4 1.0 OG1 A:THR199 3.8 14.2 1.0 NE2 A:HIS119 4.0 15.0 1.0 CG A:HIS94 4.1 20.0 1.0 ND1 A:HIS94 4.1 22.5 1.0 OE1 A:GLU106 4.2 15.9 1.0 CD2 A:HIS119 4.2 16.8 1.0 CG A:HIS96 4.2 15.9 1.0 ND1 A:HIS96 4.3 14.3 1.0

J.Schulze Wischeler, S.Brass, U.Linne, A.Heine, G.Klebe. Fragment Screening on Carbonic Anhydrase II Via Tethering Approach To Be Published.