Chlorine in PDB 6p0y: Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp

All present enzymatic activity of Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp:
2.7.1.40;

The structure of Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp, PDB code: 6p0y was solved by N.Schormann, D.Chattopadhyay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.03 / 2.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	133.465, 105.305, 83.453, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 26.8

The structure of Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Potassium	(K)	2 atoms

The binding sites of Chlorine atom in the Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp (pdb code 6p0y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp, PDB code: 6p0y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:34.3 occ:1.00 NZ A:LYS464 3.1 31.3 1.0 N A:THR471 3.2 39.4 1.0 N A:THR103 3.5 41.1 1.0 OG1 A:THR471 3.5 42.5 1.0 O A:THR471 3.7 46.3 1.0 CA A:LYS470 3.7 36.9 1.0 CB A:THR103 3.9 38.3 1.0 C A:LYS470 3.9 37.1 1.0 CE A:LYS464 3.9 31.0 1.0 CB A:LYS470 4.1 38.4 1.0 CA A:THR471 4.1 41.9 1.0 CD A:LYS464 4.1 30.7 1.0 O A:THR103 4.1 36.9 1.0 CA A:THR103 4.2 38.6 1.0 CB A:THR471 4.2 42.4 1.0 OG1 A:THR103 4.3 38.7 1.0 C A:THR471 4.4 44.3 1.0 CA A:SER102 4.4 46.8 1.0 C A:SER102 4.4 44.9 1.0 O A:HIS101 4.4 50.4 1.0 CG2 A:THR471 4.4 41.4 1.0 CG A:LYS470 4.6 40.5 1.0 C A:THR103 4.7 37.4 1.0 O A:HOH706 4.8 25.1 1.0 CD A:LYS470 4.8 43.1 1.0 O A:HOH732 4.9 40.1 1.0 O A:VAL469 4.9 32.7 1.0

Chlorine binding site 2 out of 2 in the Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryptosporidium Parvum Pyruvate Kinase in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:30.7 occ:1.00 N B:THR471 3.2 36.4 1.0 NZ B:LYS464 3.2 28.0 1.0 N B:THR103 3.5 43.2 1.0 OG1 B:THR471 3.5 38.9 1.0 O B:THR471 3.6 40.6 1.0 CA B:LYS470 3.7 35.1 1.0 CB B:THR103 3.9 39.8 1.0 C B:LYS470 3.9 35.3 1.0 CE B:LYS464 4.0 27.8 1.0 CB B:LYS470 4.0 36.2 1.0 CA B:THR471 4.1 38.2 1.0 CD B:LYS464 4.2 27.6 1.0 O B:THR103 4.2 36.5 1.0 CA B:THR103 4.2 40.2 1.0 CB B:THR471 4.2 38.2 1.0 O B:HOH711 4.2 32.9 1.0 OG1 B:THR103 4.3 39.7 1.0 C B:THR471 4.3 39.8 1.0 O B:HIS101 4.4 50.0 1.0 CA B:SER102 4.4 48.5 1.0 C B:SER102 4.4 46.9 1.0 O B:HOH750 4.5 35.1 1.0 CG2 B:THR471 4.5 38.5 1.0 CG B:LYS470 4.6 38.0 1.0 C B:THR103 4.7 38.1 1.0 CD B:LYS470 4.9 39.5 1.0 O B:VAL469 5.0 30.1 1.0

N.Schormann, K.L.Hayden, P.Lee, S.Banerjee, D.Chattopadhyay. An Overview of Structure, Function, and Regulation of Pyruvate Kinases. Protein Sci. V. 28 1771 2019.
ISSN: ESSN 1469-896X
PubMed: 31342570
DOI: 10.1002/PRO.3691