Cobalt in PDB 6agt: Crystal Structure of Pfkrs Complexed with Chromone Inhibitor

All present enzymatic activity of Crystal Structure of Pfkrs Complexed with Chromone Inhibitor:
6.1.1.6;

The structure of Crystal Structure of Pfkrs Complexed with Chromone Inhibitor, PDB code: 6agt was solved by M.Yogavel, A.Sharma, A.Sharma, B.Baragana, C.Walpole, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.90 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	72.761, 104.336, 100.594, 89.88, 69.57, 61.10
R / Rfree (%)	20.3 / 24.3

The binding sites of Cobalt atom in the Crystal Structure of Pfkrs Complexed with Chromone Inhibitor (pdb code 6agt). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 5 binding sites of Cobalt where determined in the Crystal Structure of Pfkrs Complexed with Chromone Inhibitor, PDB code: 6agt:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5;

Cobalt binding site 1 out of 5 in the Crystal Structure of Pfkrs Complexed with Chromone Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Pfkrs Complexed with Chromone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Co602 b:59.3 occ:0.86 O A:HOH828 2.1 46.4 0.9 O A:HOH837 2.1 52.9 0.9 O A:HOH830 2.1 58.1 0.9 O A:HOH846 2.1 66.2 0.9 O A:HOH777 2.3 56.7 1.0 OD1 A:ASP450 3.7 56.2 1.0 OD2 A:ASP450 3.9 63.5 1.0 OE2 A:GLU458 4.2 54.8 1.0 CG A:ASP450 4.3 54.4 1.0 OE1 A:GLU500 4.4 48.2 1.0 OE2 A:GLU493 4.5 51.0 1.0

Cobalt binding site 2 out of 5 in the Crystal Structure of Pfkrs Complexed with Chromone Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Pfkrs Complexed with Chromone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Co602 b:53.3 occ:0.66 O B:HOH703 2.0 56.4 1.0 O B:HOH730 2.1 65.5 0.9 O B:HOH854 2.1 59.9 1.0 O B:HOH867 2.1 59.0 1.0 OD1 B:ASP450 3.7 57.1 1.0 OE2 B:GLU458 4.4 47.7 1.0 OD2 B:ASP450 4.4 59.5 1.0 OE1 B:GLU500 4.4 57.9 1.0 CG B:ASP450 4.5 51.4 1.0 OE2 B:GLU493 4.5 60.6 1.0

Cobalt binding site 3 out of 5 in the Crystal Structure of Pfkrs Complexed with Chromone Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Pfkrs Complexed with Chromone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Co602 b:80.7 occ:0.57 OXT C:ASN583 2.7 61.5 1.0 O C:ASN583 2.8 54.9 1.0 C C:ASN583 3.0 55.6 1.0 CA C:ASN583 4.3 53.5 1.0 CB C:ASN583 4.4 56.6 1.0

Cobalt binding site 4 out of 5 in the Crystal Structure of Pfkrs Complexed with Chromone Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Pfkrs Complexed with Chromone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Co603 b:66.4 occ:1.00 O C:HOH813 1.8 61.0 0.8 O C:HOH712 2.1 58.5 0.8 O C:HOH780 2.1 63.1 0.8 O C:HOH826 2.2 58.5 1.0 O C:HOH801 2.3 71.2 1.0 O C:HOH754 2.4 63.8 0.9 OD1 C:ASP450 3.7 67.2 1.0 OE2 C:GLU458 4.2 58.4 1.0 OE1 C:GLU500 4.3 55.5 1.0 OE2 C:GLU493 4.5 61.2 1.0 CG C:ASP450 4.6 64.3 1.0 O C:HOH810 4.7 46.7 1.0 OD2 C:ASP450 4.7 68.7 1.0

Cobalt binding site 5 out of 5 in the Crystal Structure of Pfkrs Complexed with Chromone Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Crystal Structure of Pfkrs Complexed with Chromone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ D:Co602 b:67.5 occ:0.85 O D:HOH729 2.1 66.6 1.0 O D:HOH797 2.2 61.6 1.0 O D:HOH801 2.2 67.0 1.0 O D:HOH800 2.2 70.8 1.0 OD1 D:ASP450 4.1 79.6 1.0 OE2 D:GLU458 4.3 67.6 1.0 OE2 D:GLU493 4.6 57.3 1.0 OE1 D:GLU500 4.8 53.7 1.0 CG D:ASP450 4.9 75.4 1.0

B.Baragana, B.Forte, R.Choi, S.Nakazawa Hewitt, J.A.Bueren-Calabuig, J.P.Pisco, C.Peet, D.M.Dranow, D.A.Robinson, C.Jansen, N.R.Norcross, S.Vinayak, M.Anderson, C.F.Brooks, C.A.Cooper, S.Damerow, M.Delves, K.Dowers, J.Duffy, T.E.Edwards, I.Hallyburton, B.G.Horst, M.A.Hulverson, L.Ferguson, M.B.Jimenez-Diaz, R.S.Jumani, D.D.Lorimer, M.S.Love, S.Maher, H.Matthews, C.W.Mcnamara, P.Miller, S.O'neill, K.K.Ojo, M.Osuna-Cabello, E.Pinto, J.Post, J.Riley, M.Rottmann, L.M.Sanz, P.Scullion, A.Sharma, S.M.Shepherd, Y.Shishikura, F.R.C.Simeons, E.E.Stebbins, L.Stojanovski, U.Straschil, F.K.Tamaki, J.Tamjar, L.S.Torrie, A.Vantaux, B.Witkowski, S.Wittlin, M.Yogavel, F.Zuccotto, I.Angulo-Barturen, R.Sinden, J.Baum, F.J.Gamo, P.Maser, D.E.Kyle, E.A.Winzeler, P.J.Myler, P.G.Wyatt, D.Floyd, D.Matthews, A.Sharma, B.Striepen, C.D.Huston, D.W.Gray, A.H.Fairlamb, A.V.Pisliakov, C.Walpole, K.D.Read, W.C.Van Voorhis, I.H.Gilbert. Lysyl-Trna Synthetase As A Drug Target in Malaria and Cryptosporidiosis. Proc. Natl. Acad. Sci. V. 116 7015 2019U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30894487
DOI: 10.1073/PNAS.1814685116