Magnesium in PDB 7mqq: Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc)

The structure of Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc), PDB code: 7mqq was solved by M.A.Outram, D.J.Ericsson, S.J.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.62 / 1.15
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.732, 50.732, 91.091, 90, 90, 120
R / Rfree (%)	16.2 / 17.7

The binding sites of Magnesium atom in the Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc) (pdb code 7mqq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc), PDB code: 7mqq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:21.4 occ:0.74 O A:HOH361 2.1 25.7 1.0 O A:ARG24 2.2 16.3 1.0 O A:HOH387 2.2 19.6 0.4 O A:HOH394 2.4 27.1 1.0 O A:MET22 2.5 14.4 1.0 HA A:MET22 3.4 18.1 1.0 C A:ARG24 3.5 15.0 1.0 C A:MET22 3.5 13.8 1.0 HA A:SER25 3.9 15.6 1.0 CA A:MET22 4.0 15.1 1.0 O A:HOH346 4.1 20.9 1.0 N A:ARG24 4.1 15.9 1.0 H A:ARG24 4.2 19.1 1.0 O A:HOH381 4.2 23.9 1.0 HB2 A:ARG24 4.2 23.4 1.0 HB2 A:SER25 4.3 15.8 1.0 CA A:ARG24 4.3 16.5 1.0 O A:PRO21 4.3 16.3 1.0 N A:SER25 4.4 13.3 1.0 HB3 A:MET22 4.4 19.4 1.0 C A:ALA23 4.5 14.8 1.0 CA A:SER25 4.5 13.0 1.0 N A:ALA23 4.5 14.8 1.0 CB A:SER25 4.8 13.1 1.0 CB A:MET22 4.8 16.1 1.0 CB A:ARG24 4.8 19.5 1.0 O A:ALA23 4.9 15.7 1.0 CA A:ALA23 5.0 17.6 1.0

Magnesium binding site 2 out of 2 in the Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of An Allelic Variant of Puccinia Graminis F. Sp. Tritici (Pgt) Effector AVRSR50 (Qcmjc) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:23.1 occ:0.47 O A:HOH316 2.2 23.5 1.0 OD1 A:ASP86 2.5 16.9 1.0 O A:HIS87 2.5 21.7 1.0 O A:HOH319 2.6 26.3 1.0 O A:HOH385 2.6 37.6 1.0 CG A:ASP86 3.2 18.5 1.0 H A:HIS87 3.2 19.9 1.0 C A:HIS87 3.5 20.0 1.0 OD2 A:ASP86 3.5 21.9 1.0 HZ2 A:LYS107 3.6 24.5 1.0 HD2 A:PRO88 3.7 29.0 1.0 HZ3 A:LYS107 3.8 24.5 1.0 N A:HIS87 4.0 16.6 1.0 NZ A:LYS107 4.1 20.4 1.0 N A:PRO88 4.2 20.3 1.0 CD A:PRO88 4.3 24.1 1.0 HE2 A:TYR108 4.3 18.3 1.0 HZ1 A:LYS107 4.4 24.5 1.0 CA A:HIS87 4.4 17.6 1.0 CB A:ASP86 4.5 15.8 1.0 HB3 A:ASP86 4.5 18.9 1.0 HD3 A:PRO88 4.6 29.0 1.0 OH A:TYR108 4.6 17.6 1.0 HA A:ASP86 4.9 16.4 1.0 HD2 A:LYS107 4.9 26.0 1.0 HB3 A:HIS87 5.0 23.1 1.0

D.Ortiz, J.Chen, M.A.Outram, I.M.L.Saur, N.M.Upadhyaya, R.Mago, D.J.Ericsson, S.Cesari, C.Chen, S.J.Williams, P.N.Dodds. The Stem Rust Effector Protein AVRSR50 Escapes SR50 Recognition By A Substitution in A Single Surface-Exposed Residue. New Phytol. V. 234 592 2022.
ISSN: ESSN 1469-8137
PubMed: 35107838
DOI: 10.1111/NPH.18011