Calcium in PDB 8bwl: Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium

The structure of Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium, PDB code: 8bwl 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)	49.25 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.047, 88.588, 97.622, 90, 90, 90
R / Rfree (%)	18.3 / 21.2

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 (pdb code 8bwl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 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, PDB code: 8bwl:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:78.5 occ:1.00 O A:HOH765 2.3 85.1 1.0 O A:GLY413 2.3 73.0 1.0 O C:HOH203 2.4 76.5 1.0 OD2 A:ASP416 2.4 89.8 1.0 O A:HOH758 2.4 74.0 1.0 O A:HOH702 2.7 82.0 1.0 OD1 A:ASP416 2.8 76.8 1.0 CG A:ASP416 2.8 80.6 1.0 O C:HOH201 2.9 80.3 1.0 C A:GLY413 3.5 63.0 1.0 HA3 A:GLY413 3.9 78.0 1.0 H A:ASP416 4.0 77.0 1.0 HG C:SER33 4.0 84.0 1.0 CB A:ASP416 4.1 68.6 1.0 CA A:GLY413 4.1 65.0 1.0 HA A:TRP414 4.2 73.7 1.0 HA2 A:GLY413 4.2 78.0 1.0 HD1 A:TRP417 4.5 72.0 1.0 HD1 A:TRP414 4.5 69.8 1.0 N A:TRP414 4.5 63.5 1.0 OD2 C:ASP34 4.6 95.0 1.0 OD1 C:ASP34 4.6 91.8 1.0 OG C:SER33 4.7 70.0 1.0 N A:ASP416 4.8 64.1 1.0 CA A:TRP414 4.8 61.4 1.0 CG C:ASP34 5.0 80.5 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:64.6 occ:1.00 OD2 B:ASP416 2.2 78.4 1.0 O B:HOH754 2.3 74.4 1.0 O B:GLY413 2.4 56.6 1.0 O D:HOH210 2.4 66.5 1.0 O B:HOH740 2.6 64.8 1.0 O B:HOH747 2.7 71.8 1.0 O D:HOH209 2.7 69.4 1.0 CG B:ASP416 2.8 60.5 1.0 OD1 B:ASP416 2.9 66.0 1.0 C B:GLY413 3.5 56.3 1.0 HG D:SER33 3.9 60.7 1.0 HA3 B:GLY413 3.9 64.9 1.0 H B:ASP416 4.1 66.9 1.0 HA2 B:GLY413 4.1 64.9 1.0 CA B:GLY413 4.1 54.1 1.0 CB B:ASP416 4.2 60.3 1.0 HA B:TRP414 4.2 59.4 1.0 HD1 B:TRP414 4.5 56.2 1.0 OD1 D:ASP34 4.5 77.3 1.0 N B:TRP414 4.6 50.2 1.0 OD2 D:ASP34 4.6 70.2 1.0 HD1 B:TRP417 4.6 59.9 1.0 OG D:SER33 4.7 50.6 1.0 CA B:TRP414 4.9 49.5 1.0 N B:ASP416 4.9 55.7 1.0 H B:ASP415 5.0 63.9 1.0 OD1 B:ASP415 5.0 68.0 1.0 CG D:ASP34 5.0 66.2 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium


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 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca101 b:126.6 occ:1.00 O C:ALA65 2.7 126.7 1.0 HB1 C:ALA65 2.8 145.3 1.0 OE2 C:GLU69 3.0 141.0 1.0 OE1 C:GLU69 3.3 126.8 1.0 CD C:GLU69 3.5 131.3 1.0 C C:ALA65 3.5 130.1 1.0 CB C:ALA65 3.7 121.0 1.0 CA C:ALA65 4.0 124.2 1.0 HB3 C:ALA65 4.0 145.3 1.0 HA C:ALA65 4.1 149.1 1.0 HA C:LEU66 4.2 135.9 1.0 HB2 C:ASP68 4.2 149.2 1.0 HD23 C:LEU66 4.4 136.4 1.0 HB2 C:ALA65 4.4 145.3 1.0 N C:LEU66 4.5 113.1 1.0 OD2 C:ASP68 4.6 147.8 1.0 CA C:LEU66 4.8 113.3 1.0 CG C:GLU69 4.9 126.9 1.0 HG2 C:GLU69 4.9 152.2 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Human Twisted Gastrulation Protein Homolog 1 (TWSG1) in Complex with Human Growth Differentiation Factor 5 (GDF5) and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca101 b:116.8 occ:1.00 O D:HOH208 2.2 97.9 1.0 OE2 D:GLU69 2.5 112.9 1.0 O D:HOH214 2.5 87.6 1.0 O D:ALA65 2.8 93.8 1.0 OE1 D:GLU69 3.1 120.0 1.0 CD D:GLU69 3.2 106.7 1.0 HB2 D:ASP68 3.7 115.0 1.0 C D:ALA65 4.0 88.4 1.0 HB1 D:ALA65 4.1 112.4 1.0 OD2 D:ASP68 4.2 122.2 1.0 HA D:LEU66 4.5 87.0 1.0 HA D:ALA65 4.5 110.9 1.0 H D:ASP68 4.6 100.4 1.0 CB D:ASP68 4.6 95.8 1.0 CG D:GLU69 4.7 101.7 1.0 CA D:ALA65 4.8 92.4 1.0 H D:GLU69 4.8 102.1 1.0 CG D:ASP68 4.8 114.8 1.0 CB D:ALA65 4.9 93.7 1.0 HG3 D:GLU69 5.0 122.1 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