Calcium in PDB 8bwm: Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev)

The structure of Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev), PDB code: 8bwm was solved by T.Malinauskas, A.F.Rudolf, G.Moore, H.Eggington, H.Belnoue-Davis, K.Elomari, R.E.Woolley, S.C.Griffiths, R.Duman, A.Wagner, S.J.Leedham, C.Baldock, H.Ashe, C.Siebold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.92 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.48, 89.263, 97.782, 90, 90, 90
R / Rfree (%)	22.2 / 27.8

The binding sites of Calcium atom in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev) (pdb code 8bwm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev), PDB code: 8bwm:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:108.3 occ:1.00 OD2 A:ASP416 2.5 103.4 1.0 O C:HOH102 2.6 84.9 1.0 O A:GLY413 2.6 91.0 1.0 O A:HOH728 2.6 79.2 1.0 O A:HOH712 2.6 71.1 1.0 O A:HOH720 2.7 77.5 1.0 O C:HOH103 2.9 74.4 1.0 CG A:ASP416 3.0 86.6 1.0 OD1 A:ASP416 3.2 84.9 1.0 C A:GLY413 3.7 76.0 1.0 HA3 A:GLY413 4.0 82.5 1.0 CB A:ASP416 4.1 64.7 1.0 HA2 A:GLY413 4.2 82.5 1.0 H A:ASP416 4.3 94.4 1.0 HG C:SER33 4.3 115.3 1.0 CA A:GLY413 4.3 67.6 1.0 HA A:TRP414 4.4 89.9 1.0 N A:TRP414 4.8 75.3 1.0 HD1 A:TRP417 4.8 80.4 1.0 HD1 A:TRP414 4.8 89.4 1.0 HZ3 C:LYS37 4.8 101.8 1.0 OD1 C:ASP34 4.8 94.6 1.0 OG C:SER33 4.9 95.0 1.0 OD1 A:ASP415 4.9 96.5 1.0 N A:ASP416 5.0 77.5 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:111.0 occ:1.00 O D:HOH206 2.6 70.0 1.0 OD2 B:ASP416 2.7 88.2 1.0 O B:GLY413 2.7 66.6 1.0 O B:HOH723 2.8 69.6 1.0 CG B:ASP416 3.3 71.0 1.0 OD1 B:ASP416 3.6 73.8 1.0 HG D:SER33 3.8 82.8 1.0 C B:GLY413 3.9 68.2 1.0 HA3 B:GLY413 4.0 78.3 1.0 OD1 D:ASP34 4.0 70.3 1.0 OG D:SER33 4.4 67.9 1.0 CA B:GLY413 4.4 64.1 1.0 HA2 B:GLY413 4.5 78.3 1.0 CB B:ASP416 4.5 57.0 1.0 HA B:TRP414 4.6 71.2 1.0 HD1 B:TRP414 4.7 61.7 1.0 OD2 D:ASP34 4.7 76.4 1.0 CG D:ASP34 4.7 68.8 1.0 H B:ASP416 4.7 71.8 1.0 HB3 D:SER33 4.8 60.8 1.0 N B:TRP414 5.0 57.4 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, Long-Wavelength X-Ray Dataset (4042 Ev) within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:115.5 occ:1.00 O D:HOH209 2.6 71.4 1.0 O D:ALA65 2.7 92.8 1.0 OE2 D:GLU69 2.7 111.9 1.0 OE1 D:GLU69 3.3 111.8 1.0 CD D:GLU69 3.4 111.8 1.0 HB2 D:ASP68 3.5 167.0 1.0 OD2 D:ASP68 3.7 121.5 1.0 C D:ALA65 3.8 95.9 1.0 HB1 D:ALA65 3.9 108.3 1.0 HA D:ALA65 4.2 115.4 1.0 H D:ASP68 4.2 128.7 1.0 CB D:ASP68 4.3 138.0 1.0 CG D:ASP68 4.3 138.4 1.0 HA D:LEU66 4.5 100.1 1.0 CA D:ALA65 4.5 95.0 1.0 CB D:ALA65 4.6 89.1 1.0 H D:GLU69 4.8 138.1 1.0 HB3 D:ASP68 4.9 167.0 1.0 CG D:GLU69 4.9 123.1 1.0 N D:LEU66 4.9 83.4 1.0 N D:ASP68 5.0 106.1 1.0

T.Malinauskas, G.Moore, A.F.Rudolf, H.Eggington, H.L.Belnoue-Davis, K.El Omari, S.C.Griffiths, R.E.Woolley, R.Duman, A.Wagner, S.J.Leedham, C.Baldock, H.L.Ashe, C.Siebold. Molecular Mechanism of Bmp Signal Control By Twisted Gastrulation. Nat Commun V. 15 4976 2024.
ISSN: ESSN 2041-1723
PubMed: 38862520
DOI: 10.1038/S41467-024-49065-8