Chlorine in PDB 8rpa: Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A

All present enzymatic activity of Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A:
2.7.1.20;

The structure of Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A, PDB code: 8rpa was solved by S.Morera, D.Kopecny, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.95 / 2.26
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.049, 117.49, 165.958, 90, 90, 90
R / Rfree (%)	20.8 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A (pdb code 8rpa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A, PDB code: 8rpa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:45.5 occ:1.00 H A:SER57 2.5 40.0 1.0 HB2 A:SER57 3.3 40.7 1.0 HA A:LYS56 3.4 41.5 1.0 N A:SER57 3.5 40.0 1.0 HB3 A:LYS56 3.6 43.7 1.0 HD3 A:LYS56 3.6 53.6 1.0 H A:ASN58 4.0 37.7 1.0 HG2 A:LYS56 4.1 48.4 1.0 CB A:SER57 4.1 40.7 1.0 CA A:LYS56 4.1 41.5 1.0 CB A:LYS56 4.2 43.7 1.0 OG A:SER57 4.2 43.0 1.0 HG A:SER57 4.3 43.0 1.0 C A:LYS56 4.4 40.9 1.0 CA A:SER57 4.4 39.5 1.0 CG A:LYS56 4.5 48.4 1.0 CD A:LYS56 4.5 53.6 1.0 N A:ASN58 4.8 37.7 1.0 OD1 A:ASN58 4.8 42.8 1.0 HZ3 A:LYS56 4.9 61.4 1.0 HB3 A:SER57 5.0 40.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Zea Mays Adenosine Kinase 3 (ZMADK3) in Complex with AP5A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:7.1 occ:1.00 HG1 A:THR67 2.1 19.4 1.0 H A:ASN15 2.3 16.9 1.0 H A:THR67 2.4 18.1 1.0 H2B A:AP5401 2.5 21.0 1.0 O A:HOH504 2.9 21.6 1.0 HA3 A:GLY14 2.9 16.5 1.0 HB3 A:ALA167 3.0 15.0 1.0 HB3 A:ALA66 3.1 19.8 1.0 OG1 A:THR67 3.1 19.4 1.0 N A:ASN15 3.3 16.9 1.0 HB2 A:PHE169 3.4 15.3 1.0 N A:THR67 3.4 18.1 1.0 HB2 A:ASN15 3.4 18.0 1.0 C2B A:AP5401 3.5 21.0 1.0 HB A:THR67 3.5 18.4 1.0 H A:ALA66 3.6 19.6 1.0 CA A:GLY14 3.8 16.5 1.0 CB A:THR67 3.8 18.4 1.0 HA2 A:GLY14 3.8 16.5 1.0 HB2 A:PHE170 3.8 15.3 1.0 N A:ALA66 4.0 19.6 1.0 CB A:ALA167 4.0 15.0 1.0 HD2 A:PHE169 4.0 16.2 1.0 C A:GLY14 4.1 16.5 1.0 CB A:ALA66 4.1 19.8 1.0 N3B A:AP5401 4.1 21.3 1.0 HB2 A:ALA167 4.2 15.0 1.0 CB A:ASN15 4.2 18.0 1.0 H A:ALA167 4.2 14.2 1.0 CA A:THR67 4.2 17.7 1.0 CA A:ASN15 4.3 17.6 1.0 N1B A:AP5401 4.3 20.9 1.0 HD22 A:ASN15 4.3 20.0 1.0 CA A:ALA66 4.3 19.5 1.0 O A:ASN15 4.3 19.0 1.0 CB A:PHE169 4.3 15.3 1.0 C A:ALA66 4.3 18.9 1.0 H A:PHE170 4.4 15.2 1.0 HB3 A:PHE169 4.4 15.3 1.0 CG A:ASN15 4.5 19.7 1.0 HB1 A:ALA167 4.5 15.0 1.0 H A:GLN68 4.5 17.6 1.0 ND2 A:ASN15 4.5 20.0 1.0 C A:GLY65 4.6 20.2 1.0 HB2 A:ALA66 4.7 19.8 1.0 C A:ASN15 4.7 18.6 1.0 OH A:TYR86 4.7 24.6 1.0 HB1 A:ALA66 4.7 19.8 1.0 HA2 A:GLY65 4.7 20.7 1.0 N A:PHE170 4.7 15.2 1.0 HA3 A:GLY65 4.7 20.7 1.0 CB A:PHE170 4.9 15.3 1.0 CD2 A:PHE169 4.9 16.3 1.0 HA A:THR67 4.9 17.7 1.0 CA A:GLY65 5.0 20.7 1.0 N A:ALA167 5.0 14.2 1.0 O A:ALA167 5.0 16.2 1.0 N A:GLY14 5.0 16.1 1.0 CA A:ALA167 5.0 15.1 1.0 O A:MET13 5.0 16.0 1.0

D.J.Kopecny, A.Vigouroux, J.Belicek, M.Kopecna, R.Koncitikova, I.Petrik, V.Mik, J.F.Humplik, M.Le Berre, S.Plancqueel, M.Strnad, K.Von Schwartzenberg, O.Novak, S.Morera, D.Kopecny. Structure-Function Study on Plant Adenosine Kinase Phosphorylating Adenosine and Cytokinin Ribosides To Be Published.