Nickel in PDB 6lv6: Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2

All present enzymatic activity of Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2:
4.2.1.1;

The structure of Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2, PDB code: 6lv6 was solved by C.U.Kim, J.K.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.395, 41.365, 72.127, 90.00, 104.01, 90.00
R / Rfree (%)	11.2 / 13.8

The binding sites of Nickel atom in the Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2 (pdb code 6lv6). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2, PDB code: 6lv6:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni303 b:5.1 occ:1.00 HE2 A:HIS94 1.2 4.2 1.0 HD1 A:HIS119 1.3 4.1 1.0 HE2 A:HIS96 1.3 4.5 1.0 NE2 A:HIS94 2.0 5.0 1.0 ND1 A:HIS119 2.1 4.2 1.0 NE2 A:HIS96 2.1 4.6 1.0 O A:HOH583 2.1 7.0 1.0 O1 A:BCT305 2.2 7.4 1.0 O3 A:BCT305 2.2 7.6 1.0 C A:BCT305 2.6 7.8 1.0 CE1 A:HIS119 2.9 3.9 1.0 CE1 A:HIS94 3.0 5.0 1.0 HE1 A:HIS119 3.0 3.7 1.0 CE1 A:HIS96 3.1 5.3 1.0 HO3 A:BCT305 3.1 7.5 0.0 CD2 A:HIS94 3.1 4.4 1.0 HE1 A:HIS94 3.1 4.8 1.0 CD2 A:HIS96 3.1 4.0 1.0 CG A:HIS119 3.2 4.1 1.0 HE1 A:HIS96 3.2 5.5 1.0 HD2 A:HIS94 3.3 4.4 1.0 HD2 A:HIS96 3.3 4.1 1.0 HB2 A:HIS119 3.4 4.0 1.0 CB A:HIS119 3.7 4.0 1.0 HG1 A:THR199 3.7 5.1 0.0 HB3 A:HIS119 3.8 4.1 1.0 O2 A:BCT305 3.8 15.5 1.0 OG1 A:THR199 4.0 5.2 1.0 ND1 A:HIS94 4.1 4.4 1.0 NE2 A:HIS119 4.1 4.0 1.0 OE1 A:GLU106 4.2 4.7 1.0 HH2 A:TRP209 4.2 5.0 1.0 O A:HOH662 4.2 15.4 1.0 ND1 A:HIS96 4.2 5.5 1.0 CG A:HIS94 4.2 4.3 1.0 CD2 A:HIS119 4.3 4.2 1.0 O A:HOH495 4.3 13.2 1.0 CG A:HIS96 4.3 4.3 1.0 O A:HOH669 4.7 26.4 1.0 H A:THR199 4.8 4.4 1.0 HE2 A:HIS119 4.9 3.3 1.0 HD1 A:HIS94 4.9 3.9 1.0 HG12 A:VAL143 4.9 5.6 1.0 HG23 A:THR200 4.9 7.6 1.0 HD1 A:HIS96 5.0 4.6 1.0

Nickel binding site 2 out of 2 in the Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Ni- Carbonic Anhydrase II pH 7.8 20 Atm CO2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni304 b:18.0 occ:1.00 HD1 A:HIS4 1.2 29.4 1.0 H A:HIS4 1.4 17.7 1.0 N A:HIS4 1.7 20.8 1.0 ND1 A:HIS4 2.0 28.6 1.0 H A:TRP5 2.9 12.4 1.0 CG A:HIS4 2.9 17.6 1.0 CA A:HIS4 2.9 14.7 1.0 CE1 A:HIS4 3.0 40.5 1.0 CB A:HIS4 3.2 17.2 1.0 HB3 A:HIS4 3.3 11.1 1.0 HE1 A:HIS4 3.3 37.5 1.0 O A:HOH572 3.6 27.1 1.0 HA A:HIS4 3.6 16.6 1.0 N A:TRP5 3.6 11.4 1.0 C A:HIS4 3.9 14.2 1.0 CD2 A:HIS4 4.1 23.4 1.0 NE2 A:HIS4 4.1 20.8 1.0 HB2 A:HIS4 4.2 16.2 1.0 O A:HOH688 4.2 38.0 1.0 O A:TRP5 4.6 10.3 1.0 HD1 A:TRP5 4.6 9.6 1.0 HE2 A:HIS4 4.9 23.1 1.0 CA A:TRP5 4.9 9.4 1.0 HD2 A:HIS4 4.9 21.6 1.0

C.U.Kim, J.K.Kim. Metal Substituted Human Carbonic Anhydrase II Under CO2 Pressure To Be Published.