Magnesium in PDB 4u00: Crystal Structure of TTHA1159 in Complex with Adp

The structure of Crystal Structure of TTHA1159 in Complex with Adp, PDB code: 4u00 was solved by S.Karthiga Devi, V.P.R.Chichili, D.Velmurugan, J.Sivaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.97 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.107, 81.370, 49.338, 90.00, 104.48, 90.00
R / Rfree (%)	18.7 / 23.1

The structure of Crystal Structure of TTHA1159 in Complex with Adp also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of TTHA1159 in Complex with Adp (pdb code 4u00). 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 TTHA1159 in Complex with Adp, PDB code: 4u00:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of TTHA1159 in Complex with Adp


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 TTHA1159 in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:20.3 occ:1.00 O A:HOH429 2.0 18.1 1.0 O A:HOH453 2.1 19.2 1.0 O A:HOH529 2.1 24.2 1.0 O A:HOH417 2.1 16.2 1.0 O A:HOH433 2.1 22.5 1.0 OD2 A:ASP206 4.1 18.9 1.0 OD1 A:ASP206 4.2 20.6 1.0 NZ A:LYS32 4.2 20.4 1.0 O A:HOH487 4.3 32.0 1.0 O A:GLY30 4.4 14.0 1.0 CD A:LYS32 4.5 22.3 1.0 CG A:ASP206 4.6 20.2 1.0 O A:ALA185 4.8 27.0 1.0 CE A:LYS32 4.9 21.4 1.0 O A:GLY187 5.0 23.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of TTHA1159 in Complex with Adp


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 TTHA1159 in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:18.7 occ:1.00 O1B A:ADP301 2.0 19.2 1.0 O A:HOH514 2.0 20.1 1.0 O A:HOH454 2.1 16.9 1.0 O A:HOH468 2.1 18.3 1.0 O A:HOH460 2.1 21.1 1.0 OG A:SER44 2.1 15.6 1.0 CB A:SER44 3.1 14.2 1.0 PB A:ADP301 3.3 17.9 1.0 O2B A:ADP301 3.6 19.6 1.0 OE2 A:GLU164 3.9 17.5 1.0 N A:SER44 3.9 15.3 1.0 O1A A:ADP301 3.9 16.9 1.0 OD1 A:ASP163 4.0 16.9 1.0 CA A:SER44 4.0 16.3 1.0 OD2 A:ASP163 4.1 17.9 1.0 O3B A:ADP301 4.3 17.5 1.0 O3A A:ADP301 4.3 20.4 1.0 O A:HOH490 4.4 28.9 1.0 CG A:ASP163 4.5 20.6 1.0 O A:HOH510 4.5 21.8 1.0 PA A:ADP301 4.6 16.8 1.0 O A:HOH475 4.6 25.1 1.0 O A:HOH527 4.7 26.3 1.0 CD A:GLU164 4.7 22.6 1.0

S.Karthiga Devi, V.P.R.Chichili, J.Jeyakanthan, D.Velmurugan, J.Sivaraman. Structural Basis For the Hydrolysis of Atp By A Nucleotide Binding Subunit of An Amino Acid Abc Transporter From Thermus Thermophilus J.Struct.Biol. 2015.
ISSN: ESSN 1095-8657
PubMed: 25916755
DOI: 10.1016/J.JSB.2015.04.012