Magnesium in PDB 4qny: Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470

The structure of Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470, PDB code: 4qny was solved by A.K.Wernimont, P.Loppnau, J.R.Walker, M.Mangos, M.El Bakkouri, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, M.Amani, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.03 / 2.26
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.203, 86.063, 82.066, 90.00, 97.34, 90.00
R / Rfree (%)	23.4 / 28.5

The binding sites of Magnesium atom in the Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470 (pdb code 4qny). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470, PDB code: 4qny:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:16.0 occ:1.00 O1A A:ANP402 2.0 20.4 1.0 O A:HOH564 2.0 4.1 1.0 O A:HOH565 2.1 29.3 1.0 OD1 A:ASN154 2.1 15.8 1.0 OD2 A:ASP167 2.1 16.4 1.0 O2B A:ANP402 2.3 13.7 1.0 CG A:ASN154 3.2 31.0 1.0 CG A:ASP167 3.2 22.0 1.0 PA A:ANP402 3.3 22.8 1.0 PB A:ANP402 3.4 24.4 1.0 CB A:ASP167 3.6 16.6 1.0 N3B A:ANP402 3.7 33.0 1.0 ND2 A:ASN154 3.7 14.9 1.0 O3A A:ANP402 3.8 30.5 1.0 C5' A:ANP402 4.2 26.9 1.0 O5' A:ANP402 4.2 25.6 1.0 OD1 A:ASP167 4.3 27.5 1.0 O2A A:ANP402 4.4 21.5 1.0 O3' A:ANP402 4.4 25.6 1.0 CB A:ASN154 4.4 15.3 1.0 O A:HOH516 4.5 18.5 1.0 O A:HOH530 4.5 57.0 1.0 O1B A:ANP402 4.7 41.6 1.0 CA A:ASN154 4.7 27.9 1.0 O A:ALA153 4.7 16.8 1.0 OD2 A:ASP149 4.7 30.9 1.0 C3' A:ANP402 4.8 20.1 1.0 N A:ASN154 4.8 17.7 1.0 C A:ALA153 4.9 19.0 1.0 O A:HOH641 4.9 28.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:7.2 occ:1.00 OD2 B:ASP167 2.0 20.9 1.0 O1A B:ANP403 2.0 31.8 1.0 O B:HOH569 2.0 20.9 1.0 OD1 B:ASN154 2.2 18.5 1.0 O B:HOH557 2.2 6.5 1.0 O2B B:ANP403 2.3 24.2 1.0 CG B:ASP167 3.0 24.8 1.0 CG B:ASN154 3.2 17.6 1.0 PB B:ANP403 3.3 18.6 1.0 PA B:ANP403 3.4 28.9 1.0 N3B B:ANP403 3.5 30.1 1.0 CB B:ASP167 3.5 22.2 1.0 ND2 B:ASN154 3.7 16.6 1.0 O3A B:ANP403 3.9 34.3 1.0 OD1 B:ASP167 4.1 32.0 1.0 O B:HOH541 4.3 47.9 1.0 O B:HOH525 4.3 12.4 1.0 O5' B:ANP403 4.4 19.4 1.0 O2A B:ANP403 4.4 33.2 1.0 C5' B:ANP403 4.4 18.2 1.0 OD2 B:ASP149 4.5 31.0 1.0 CB B:ASN154 4.5 19.4 1.0 O3' B:ANP403 4.6 18.5 1.0 O B:HOH514 4.6 16.1 1.0 O1B B:ANP403 4.6 44.8 1.0 O B:HOH561 4.7 30.6 1.0 CA B:ASN154 4.8 22.0 1.0 C3' B:ANP403 4.9 19.0 1.0 O B:ALA153 5.0 17.6 1.0 CA B:ASP167 5.0 24.2 1.0

A.K.Wernimont, P.Loppnau, J.R.Walker, M.Mangos, M.El Bakkouri, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, M.Amani. Crystal Structure of Mapk From Leishmania Donovani, LDBPK_331470 To Be Published.