Nickel in PDB 6lv5: Ni- Carbonic Anhydrase II pH 7.8 0 Atm CO2

All present enzymatic activity of Ni- Carbonic Anhydrase II pH 7.8 0 Atm CO2:
4.2.1.1;

The structure of Ni- Carbonic Anhydrase II pH 7.8 0 Atm CO2, PDB code: 6lv5 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 (°)	42.399, 41.285, 71.917, 90.00, 104.03, 90.00
R / Rfree (%)	11.6 / 14.1

The binding sites of Nickel atom in the Ni- Carbonic Anhydrase II pH 7.8 0 Atm CO2 (pdb code 6lv5). 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 0 Atm CO2, PDB code: 6lv5:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Ni- Carbonic Anhydrase II pH 7.8 0 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 0 Atm CO2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni302 b:5.3 occ:1.00 HE2 A:HIS94 1.2 4.8 1.0 HD1 A:HIS119 1.3 4.9 1.0 HE2 A:HIS96 1.3 4.9 1.0 NE2 A:HIS94 2.1 5.1 1.0 ND1 A:HIS119 2.1 5.1 1.0 O A:HOH573 2.1 8.4 1.0 NE2 A:HIS96 2.1 5.1 1.0 O A:HOH421 2.1 8.2 1.0 O A:HOH602 2.2 7.4 1.0 CE1 A:HIS119 3.0 5.2 1.0 CE1 A:HIS94 3.0 5.7 1.0 CE1 A:HIS96 3.1 4.8 1.0 HE1 A:HIS119 3.1 4.9 1.0 CD2 A:HIS96 3.1 4.8 1.0 CD2 A:HIS94 3.1 5.0 1.0 HE1 A:HIS94 3.1 5.3 1.0 CG A:HIS119 3.2 4.8 1.0 HE1 A:HIS96 3.2 4.8 1.0 HD2 A:HIS96 3.3 4.9 1.0 HD2 A:HIS94 3.3 4.9 1.0 HB2 A:HIS119 3.3 4.5 1.0 CB A:HIS119 3.7 4.4 1.0 HB3 A:HIS119 3.8 4.5 1.0 HG1 A:THR199 3.9 6.5 0.0 HH2 A:TRP209 4.0 6.0 1.0 OE1 A:GLU106 4.0 5.8 1.0 NE2 A:HIS119 4.2 5.2 1.0 ND1 A:HIS94 4.2 5.2 1.0 ND1 A:HIS96 4.2 5.4 1.0 O A:HOH627 4.2 12.4 1.0 OG1 A:THR199 4.3 6.5 1.0 O A:HOH611 4.3 10.0 1.0 CG A:HIS94 4.3 4.5 1.0 CD2 A:HIS119 4.3 4.9 1.0 CG A:HIS96 4.3 4.8 1.0 O A:HOH649 4.4 16.4 1.0 HG12 A:VAL143 4.8 6.1 1.0 HE2 A:HIS119 4.9 4.7 1.0 CH2 A:TRP209 4.9 6.3 1.0 HD1 A:HIS94 4.9 4.9 1.0 HD1 A:HIS96 4.9 4.9 1.0 CD A:GLU106 5.0 4.4 1.0

Nickel binding site 2 out of 2 in the Ni- Carbonic Anhydrase II pH 7.8 0 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 0 Atm CO2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni303 b:30.2 occ:1.00 HD1 A:HIS4 1.0 23.3 1.0 H A:HIS4 1.4 24.9 1.0 ND1 A:HIS4 1.7 20.0 1.0 N A:HIS4 1.7 26.6 1.0 CE1 A:HIS4 2.6 44.7 1.0 H A:TRP5 2.6 19.1 1.0 CG A:HIS4 2.7 32.8 1.0 CA A:HIS4 2.8 22.2 1.0 HE1 A:HIS4 2.9 36.6 1.0 CB A:HIS4 3.1 32.1 1.0 N A:TRP5 3.3 17.7 1.0 HB3 A:HIS4 3.4 23.8 1.0 HA A:HIS4 3.5 22.7 1.0 C A:HIS4 3.6 22.9 1.0 NE2 A:HIS4 3.7 59.4 1.0 CD2 A:HIS4 3.8 44.5 1.0 HB2 A:HIS4 4.0 29.8 1.0 HD1 A:TRP5 4.4 13.0 1.0 HE2 A:HIS4 4.5 55.1 1.0 O A:TRP5 4.5 13.3 1.0 HD2 A:HIS4 4.6 43.4 1.0 CA A:TRP5 4.6 13.3 1.0 O A:HIS4 4.8 28.6 1.0 CD1 A:TRP5 4.8 14.0 1.0 C A:TRP5 5.0 10.9 1.0

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