Calcium in PDB 8bwn: 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 (4010 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 (4010 Ev), PDB code: 8bwn 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)	65.86 / 2.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.574, 89.178, 97.681, 90, 90, 90
R / Rfree (%)	25.2 / 28.3

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 (4010 Ev) (pdb code 8bwn). 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 (4010 Ev), PDB code: 8bwn:
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 (4010 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 (4010 Ev) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:109.5 occ:1.00 O A:HOH721 2.5 97.3 1.0 O C:HOH101 2.5 102.8 1.0 O A:GLY413 2.5 95.1 1.0 OD2 A:ASP416 2.5 104.5 1.0 O A:HOH709 2.6 94.0 1.0 O A:HOH715 2.7 94.0 1.0 O C:HOH102 2.9 107.9 1.0 CG A:ASP416 3.1 95.5 1.0 OD1 A:ASP416 3.4 96.5 1.0 C A:GLY413 3.6 93.8 1.0 HA3 A:GLY413 3.8 104.6 1.0 HA2 A:GLY413 4.1 104.6 1.0 CA A:GLY413 4.1 85.9 1.0 HG C:SER33 4.1 122.2 1.0 CB A:ASP416 4.2 91.2 1.0 H A:ASP416 4.3 108.7 1.0 HA A:TRP414 4.5 113.8 1.0 N A:TRP414 4.7 95.2 1.0 OG C:SER33 4.8 100.5 1.0 HD1 A:TRP414 4.8 111.1 1.0 OD1 A:ASP415 4.8 93.9 1.0 HD1 A:TRP417 4.9 116.2 1.0 OD1 C:ASP34 5.0 112.2 1.0 HZ3 C:LYS37 5.0 126.5 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 (4010 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 (4010 Ev) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:104.1 occ:1.00 OD2 B:ASP416 2.6 90.2 1.0 O D:HOH202 2.7 81.7 1.0 O B:GLY413 2.7 77.9 1.0 O B:HOH715 2.8 79.7 1.0 CG B:ASP416 3.4 83.3 1.0 OD1 B:ASP416 3.6 84.4 1.0 HG D:SER33 3.7 93.6 1.0 C B:GLY413 3.9 73.4 1.0 OD1 D:ASP34 4.0 87.1 1.0 HA3 B:GLY413 4.0 80.7 1.0 OG D:SER33 4.3 76.7 1.0 CA B:GLY413 4.4 65.9 1.0 HA2 B:GLY413 4.4 80.7 1.0 CB B:ASP416 4.6 78.4 1.0 HA B:TRP414 4.7 93.4 1.0 HD1 B:TRP414 4.7 77.3 1.0 OD2 D:ASP34 4.7 93.5 1.0 CG D:ASP34 4.7 86.7 1.0 H B:ASP416 4.8 98.4 1.0 HB3 D:SER33 4.8 82.1 1.0 N B:TRP414 5.0 68.2 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 (4010 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 (4010 Ev) within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:120.0 occ:1.00 O D:HOH205 2.5 100.0 1.0 OE2 D:GLU69 2.6 112.1 1.0 O D:ALA65 2.7 118.9 1.0 OE1 D:GLU69 3.1 114.9 1.0 CD D:GLU69 3.2 115.7 1.0 HB2 D:ASP68 3.4 157.1 1.0 OD2 D:ASP68 3.7 142.4 1.0 C D:ALA65 3.8 116.9 1.0 HB1 D:ALA65 3.9 136.8 1.0 HA D:ALA65 4.2 137.1 1.0 H D:ASP68 4.2 141.9 1.0 CB D:ASP68 4.2 129.7 1.0 CG D:ASP68 4.3 139.3 1.0 HA D:LEU66 4.4 137.6 1.0 CA D:ALA65 4.5 112.9 1.0 CB D:ALA65 4.6 112.7 1.0 H D:GLU69 4.7 137.6 1.0 CG D:GLU69 4.7 116.5 1.0 HB3 D:ASP68 4.8 157.1 1.0 N D:LEU66 4.8 111.8 1.0 N D:ASP68 5.0 117.0 1.0 HG2 D:GLU69 5.0 141.4 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