Potassium in PDB 6vua: X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+

All present enzymatic activity of X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+:
2.4.99.20; 3.2.2.6;

The structure of X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+, PDB code: 6vua was solved by Z.Dai, X.N.Zhang, F.Nasertorabi, G.W.Han, R.C.Stevens, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.71 / 1.50
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.762, 114.762, 97.154, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19

The structure of X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+ also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Potassium atom in the X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+ (pdb code 6vua). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+, PDB code: 6vua:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:K402 b:34.8 occ:1.00 O A:VAL235 2.7 25.4 1.0 O A:PRO232 2.7 29.3 1.0 O A:ASN270 2.8 30.2 1.0 O A:HOH718 3.0 58.5 1.0 O A:HOH602 3.0 36.9 1.0 C A:PRO232 3.7 26.9 1.0 C A:VAL235 3.8 24.3 1.0 CA A:PRO232 3.9 27.3 1.0 O A:HOH716 4.0 48.5 1.0 C A:ASN270 4.0 30.0 1.0 CB A:PRO232 4.1 29.6 1.0 CA A:GLN236 4.2 27.4 1.0 CG1 A:ILE271 4.3 25.1 1.0 CA A:ILE271 4.4 25.4 1.0 N A:GLN236 4.4 25.5 1.0 ND2 A:ASN270 4.4 39.7 0.5 O A:GLN236 4.5 25.7 1.0 N A:ILE271 4.6 27.1 1.0 C A:GLN236 4.8 25.8 1.0 N A:GLU233 4.9 27.5 1.0 CB A:ILE271 4.9 25.4 1.0 CA A:VAL235 5.0 22.9 1.0

Potassium binding site 2 out of 2 in the X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of X-Ray Structure of Human CD38 Catalytic Domain with 2'-Cl-Aranad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:K402 b:33.4 occ:1.00 O B:VAL235 2.7 32.0 1.0 O B:ASN270 2.7 28.4 1.0 O B:PRO232 2.7 40.6 1.0 O B:HOH565 2.9 31.8 1.0 O B:HOH677 3.0 56.3 1.0 O B:HOH696 3.7 57.6 1.0 C B:PRO232 3.7 38.6 1.0 C B:VAL235 3.8 28.2 1.0 C B:ASN270 3.9 27.1 1.0 O A:HOH764 3.9 50.0 1.0 CA B:PRO232 4.1 35.9 1.0 CG1 B:ILE271 4.2 27.9 1.0 CA B:ILE271 4.2 26.6 1.0 O B:HOH698 4.4 65.2 1.0 CA B:GLN236 4.4 32.2 1.0 O B:HOH650 4.4 29.9 1.0 N B:ILE271 4.5 26.2 1.0 O B:GLN236 4.5 28.2 1.0 N B:GLN236 4.5 30.3 1.0 CB B:PRO232 4.6 34.8 1.0 CB B:ILE271 4.8 25.9 1.0 C B:GLN236 4.9 30.4 1.0 N B:GLU233 4.9 36.7 1.0 N B:VAL235 5.0 29.8 1.0 CA B:VAL235 5.0 29.9 1.0

Z.Dai, X.N.Zhang, F.Nasertorabi, Q.Cheng, J.Li, B.B.Katz, G.Smbatyan, H.Pei, S.G.Louie, H.-J.Lenz, R.C.Stevens, Y.Zhang. Synthesis of Site-Specific Antibody-Drug Conjugates By Adp-Ribosyl Cyclases To Be Published.