Chlorine in PDB 4d0l: Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas

All present enzymatic activity of Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas:
2.7.1.67; 3.6.5.2;

The structure of Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas, PDB code: 4d0l was solved by J.E.Burke, A.J.Inglis, O.Perisic, G.R.Masson, S.H.Mclaughin, F.Rutaganira, K.M.Shokat, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	115.84 / 2.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.795, 146.925, 188.335, 90.00, 90.00, 90.00
R / Rfree (%)	21.626 / 25.94

The structure of Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas (pdb code 4d0l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas, PDB code: 4d0l:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:0.1 occ:1.00 CL A:0932002 0.0 0.1 1.0 CAB A:0932002 1.8 81.9 1.0 CAC A:0932002 2.7 79.2 1.0 CAF A:0932002 2.8 73.1 1.0 OAM A:0932002 3.2 63.5 1.0 SAN A:0932002 3.3 63.8 1.0 NAU A:0932002 3.7 58.4 1.0 CAV A:0932002 3.8 57.7 1.0 O A:ILE673 4.0 70.3 1.0 CD1 A:ILE595 4.0 56.1 1.0 CAD A:0932002 4.0 79.4 1.0 CG A:ASP674 4.0 72.4 1.0 OD2 A:ASP674 4.0 76.7 1.0 NZ A:LYS549 4.0 77.7 1.0 CAG A:0932002 4.1 73.6 1.0 OD1 A:ASP674 4.1 77.8 1.0 OE2 A:GLU557 4.3 63.1 1.0 CA A:ASP674 4.4 62.5 1.0 CE A:LYS549 4.5 68.0 1.0 CAW A:0932002 4.5 0.1 0.0 CAH A:0932002 4.5 77.4 1.0 CD A:GLU557 4.5 59.8 1.0 CB A:ASP674 4.6 69.2 1.0 OE1 A:GLU557 4.6 56.9 1.0 OAO A:0932002 4.6 60.4 1.0 C A:ILE673 4.7 57.0 1.0 OAX A:0932002 4.7 0.8 0.0 CD A:LYS549 4.8 60.7 1.0 N A:ASP674 5.0 56.5 1.0

Chlorine binding site 2 out of 3 in the Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2002 b:0.5 occ:1.00 CL C:0932002 0.0 0.5 1.0 CAB C:0932002 1.8 75.0 1.0 CAC C:0932002 2.7 74.9 1.0 CAF C:0932002 2.7 68.7 1.0 OAM C:0932002 2.8 75.0 1.0 SAN C:0932002 3.2 66.7 1.0 NZ C:LYS549 3.2 81.0 1.0 CAV C:0932002 3.7 72.7 1.0 NAU C:0932002 3.9 68.8 1.0 CD1 C:ILE595 4.0 49.0 1.0 CAD C:0932002 4.0 70.8 1.0 CE C:LYS549 4.0 69.3 1.0 CAG C:0932002 4.0 64.6 1.0 OD2 C:ASP674 4.1 78.0 1.0 CG C:ASP674 4.2 73.7 1.0 O C:ILE673 4.2 70.1 1.0 OD1 C:ASP674 4.2 73.2 1.0 OAO C:0932002 4.4 65.0 1.0 CAH C:0932002 4.5 66.9 1.0 OE2 C:GLU557 4.6 57.1 1.0 CD C:LYS549 4.6 63.6 1.0 CAW C:0932002 4.6 75.6 1.0 CA C:ASP674 4.6 68.0 1.0 CD C:GLU557 4.7 54.9 1.0 OE1 C:GLU557 4.8 52.4 1.0 CB C:ASP674 4.8 73.0 1.0 C C:ILE673 4.9 66.2 1.0

Chlorine binding site 3 out of 3 in the Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Phosphatidylinositol 4-Kinase III Beta-PIK93 in A Complex with RAB11A-Gtp Gammas within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2002 b:0.6 occ:1.00 CL E:0932002 0.0 0.6 1.0 CAB E:0932002 1.8 83.3 1.0 CAC E:0932002 2.7 79.7 1.0 CAF E:0932002 2.8 75.9 1.0 OAM E:0932002 2.9 72.0 1.0 SAN E:0932002 3.4 68.0 1.0 OD2 E:ASP674 3.8 71.5 1.0 NZ E:LYS549 3.8 70.4 1.0 CG E:ASP674 3.9 72.3 1.0 OD1 E:ASP674 3.9 82.2 1.0 CAW E:0932002 3.9 68.1 1.0 CAD E:0932002 4.0 76.3 1.0 CD1 E:ILE595 4.0 43.5 1.0 OAO E:0932002 4.1 68.6 1.0 CAG E:0932002 4.1 72.3 1.0 O E:ILE673 4.2 65.5 1.0 CE E:LYS549 4.4 65.2 1.0 OE2 E:GLU557 4.4 65.9 1.0 CA E:ASP674 4.5 59.5 1.0 OE1 E:GLU557 4.5 68.0 1.0 CD E:GLU557 4.5 62.4 1.0 CAH E:0932002 4.6 73.6 1.0 CB E:ASP674 4.6 66.5 1.0 NAU E:0932002 4.6 69.3 1.0 CD E:LYS549 4.8 60.6 1.0 CAV E:0932002 4.8 70.1 1.0 OAX E:0932002 4.9 70.6 1.0 C E:ILE673 4.9 53.8 1.0

J.E.Burke, A.J.Inglis, O.Perisic, G.R.Masson, S.H.Mclaughlin, F.Rutaganira, K.M.Shokat, R.L.Williams. Structures of PI4KIIIBETA Complexes Show Simultaneous Recruitment of RAB11 and Its Effectors. Science V. 344 1035 2014.
ISSN: ISSN 0036-8075
PubMed: 24876499
DOI: 10.1126/SCIENCE.1253397