Magnesium in PDB 5e92: Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp

All present enzymatic activity of Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp:
2.7.11.30;

The structure of Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp, PDB code: 5e92 was solved by S.Sheriff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.02 / 2.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.760, 75.480, 77.870, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.1

The binding sites of Magnesium atom in the Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp (pdb code 5e92). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp, PDB code: 5e92:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:32.6 occ:1.00 HOG2 A:ANP601 1.8 38.0 1.0 OD1 A:ASN384 1.9 32.8 1.0 OD2 A:ASP397 2.0 32.5 1.0 O2A A:ANP601 2.1 32.3 1.0 O2G A:ANP601 2.1 37.8 1.0 HOA2 A:ANP601 2.1 31.9 1.0 O A:HOH739 2.1 36.6 1.0 HNB1 A:ANP601 2.2 46.2 1.0 N3B A:ANP601 2.4 46.4 1.0 PG A:ANP601 2.7 44.4 1.0 CG A:ASN384 3.0 36.6 1.0 CG A:ASP397 3.1 34.3 1.0 ND2 A:ASN384 3.3 30.6 1.0 PA A:ANP601 3.4 36.7 1.0 PB A:ANP601 3.5 45.0 1.0 O1G A:ANP601 3.6 42.3 1.0 CB A:ASP397 3.6 28.6 1.0 MG A:MG603 3.7 40.8 1.0 H5'1 A:ANP601 3.7 36.8 1.0 O3A A:ANP601 3.7 39.4 1.0 O2B A:ANP601 3.9 44.4 1.0 O3G A:ANP601 4.0 48.1 1.0 OD1 A:ASP397 4.2 33.0 1.0 HO3' A:ANP601 4.2 38.7 1.0 CB A:ASN384 4.3 27.1 1.0 CE A:LYS381 4.3 39.9 1.0 O5' A:ANP601 4.4 36.5 1.0 O1A A:ANP601 4.4 32.9 1.0 O A:SER383 4.5 35.6 1.0 C5' A:ANP601 4.6 37.0 1.0 O3' A:ANP601 4.6 38.1 1.0 CA A:ASN384 4.6 28.4 1.0 H3' A:ANP601 4.6 37.7 1.0 O A:HOH740 4.6 37.5 1.0 OG A:SER383 4.6 41.6 1.0 OD2 A:ASP379 4.7 39.8 1.0 NZ A:LYS381 4.7 40.2 1.0 HOG3 A:ANP601 4.8 48.0 1.0 O1B A:ANP601 4.8 48.7 1.0 C A:SER383 4.9 34.8 1.0 N A:ASN384 4.9 29.1 1.0 HOB2 A:ANP601 4.9 45.4 1.0

Magnesium binding site 2 out of 2 in the Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tgf-Beta Receptor Type 2 Kinase Domain (E431A,R433A,E485A,K488A,R493A, R495A) in Complex with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:40.8 occ:1.00 O1G A:ANP601 1.9 42.3 1.0 O A:HOH740 2.1 37.5 1.0 OD1 A:ASP397 2.1 33.0 1.0 O A:HOH721 2.1 42.0 1.0 OD2 A:ASP397 2.1 32.5 1.0 O2B A:ANP601 2.2 44.4 1.0 CG A:ASP397 2.4 34.3 1.0 HOB2 A:ANP601 2.6 45.4 1.0 PG A:ANP601 2.9 44.4 1.0 N3B A:ANP601 3.2 46.4 1.0 PB A:ANP601 3.3 45.0 1.0 O2G A:ANP601 3.5 37.8 1.0 MG A:MG602 3.7 32.6 1.0 CB A:ASP397 3.9 28.6 1.0 CD2 A:PHE255 4.0 48.1 1.0 HNB1 A:ANP601 4.1 46.2 1.0 OD2 A:ASP379 4.2 39.8 1.0 O1B A:ANP601 4.2 48.7 1.0 O3G A:ANP601 4.2 48.1 1.0 O3A A:ANP601 4.3 39.4 1.0 HOG2 A:ANP601 4.3 38.0 1.0 NZ A:LYS277 4.5 48.7 1.0 O2A A:ANP601 4.5 32.3 1.0 CE2 A:PHE255 4.5 51.5 1.0 ND2 A:ASN384 4.6 30.6 1.0 HOG3 A:ANP601 4.7 48.0 1.0 CA A:ASP397 4.7 29.3 1.0 O A:HOH771 4.8 49.6 1.0 O A:HOH715 4.8 29.1 1.0 OE1 A:GLU290 4.8 43.5 0.5 O A:HOH750 4.8 47.9 1.0 N A:GLY399 4.8 32.8 1.0 PA A:ANP601 4.8 36.7 1.0 OD1 A:ASN384 4.9 32.8 1.0 C A:ASP397 4.9 35.2 1.0 CA A:GLY399 4.9 33.9 1.0 O A:ASP397 4.9 34.6 1.0

A.J.Tebben, M.Ruzanov, M.Gao, D.Xie, S.E.Kiefer, C.Yan, J.A.Newitt, L.Zhang, K.Kim, H.Lu, L.M.Kopcho, S.Sheriff. Crystal Structures of Apo and Inhibitor-Bound Tgf Beta R2 Kinase Domain: Insights Into Tgf Beta R Isoform Selectivity. Acta Crystallogr D Struct V. 72 658 2016BIOL.
ISSN: ISSN 2059-7983
PubMed: 27139629
DOI: 10.1107/S2059798316003624