Calcium in PDB 5s8q: Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121)

The structure of Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121), PDB code: 5s8q was solved by T.Krojer, R.Talon, M.Fairhead, A.Szykowska, N.A.Burgess-Brown, P.E.Brennan, C.H.Arrowsmith, A.M.Edwards, C.Bountra, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.91 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.06, 55.99, 91.76, 90, 90, 90
R / Rfree (%)	17.9 / 24.2

The binding sites of Calcium atom in the Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121) (pdb code 5s8q). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121), PDB code: 5s8q:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1501 b:27.1 occ:1.00 O A:THR1396 2.2 28.4 1.0 O2 A:EDO1503 2.3 30.2 1.0 O A:HOH1671 2.3 31.6 1.0 O A:LYS1393 2.4 21.2 1.0 O1 A:EDO1503 2.4 31.9 1.0 O B:HOH1602 2.4 37.6 1.0 O A:HOH1674 2.5 38.6 1.0 C2 A:EDO1503 3.3 33.0 1.0 C1 A:EDO1503 3.3 33.5 1.0 C A:THR1396 3.4 27.3 1.0 C A:LYS1393 3.6 19.1 1.0 O A:ALA1394 3.8 27.2 1.0 C A:ALA1394 4.0 23.4 1.0 OG1 A:THR1396 4.0 22.5 1.0 N A:THR1396 4.3 21.0 1.0 CA A:ALA1394 4.3 22.1 1.0 CA A:THR1396 4.3 23.1 1.0 N A:PRO1397 4.4 22.0 1.0 OE2 B:GLU1349 4.4 37.7 1.0 N A:ALA1394 4.4 19.9 1.0 CA A:PRO1397 4.4 24.9 1.0 C A:PRO1397 4.5 26.4 1.0 OD2 B:ASP1346 4.5 53.9 1.0 N A:SER1398 4.6 31.5 1.0 O A:HOH1686 4.6 37.9 1.0 CA A:LYS1393 4.7 18.2 1.0 C A:TYR1395 4.7 19.0 1.0 N A:TYR1395 4.7 20.0 1.0 CB A:THR1396 4.8 23.8 1.0

Calcium binding site 2 out of 3 in the Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1502 b:19.0 occ:1.00 O B:HOH1634 2.3 19.1 1.0 O1 B:EDO1508 2.4 18.7 1.0 O2 B:EDO1509 2.4 29.3 1.0 O2 B:EDO1507 2.4 22.6 1.0 O1 B:EDO1509 2.5 18.6 1.0 O2 B:EDO1508 2.5 22.0 1.0 O B:HOH1610 2.5 22.6 1.0 O1 B:EDO1507 2.5 22.1 1.0 C2 B:EDO1509 3.2 28.1 1.0 C1 B:EDO1508 3.3 18.1 1.0 C2 B:EDO1508 3.3 22.8 1.0 C2 B:EDO1507 3.4 21.6 1.0 C1 B:EDO1509 3.4 21.8 1.0 C1 B:EDO1507 3.4 22.2 1.0 OE2 B:GLU1380 4.5 19.4 1.0 O B:ASN1374 4.6 24.0 1.0 OE1 B:GLU1380 4.6 18.6 1.0 O B:HOH1603 4.7 33.2 1.0 CD B:GLU1380 5.0 18.9 1.0 O2 B:EDO1504 5.0 21.8 1.0

Calcium binding site 3 out of 3 in the Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Xchem Group Deposition -- Crystal Structure of the Second Bromodomain of Pleckstrin Homology Domain Interacting Protein (Phip) in Complex with FMO3D000185A (Space Group P212121) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1503 b:19.5 occ:1.00 O1 B:EDO1505 2.3 28.1 1.0 O B:HOH1671 2.3 19.2 1.0 O1 B:EDO1506 2.4 18.6 1.0 O2 B:EDO1505 2.5 20.9 1.0 O2 B:EDO1506 2.5 20.9 1.0 O1 B:EDO1504 2.5 19.6 1.0 O2 B:EDO1504 2.6 21.8 1.0 O B:HOH1679 2.6 24.0 1.0 C1 B:EDO1505 3.2 27.0 1.0 C1 B:EDO1506 3.3 19.8 1.0 C2 B:EDO1505 3.3 20.5 1.0 C2 B:EDO1506 3.3 20.6 1.0 C2 B:EDO1504 3.4 19.0 1.0 C1 B:EDO1504 3.5 20.0 1.0 O B:HOH1667 4.5 36.1 1.0 OD2 B:ASP1384 4.5 15.6 1.0 OD1 B:ASP1384 4.6 18.0 1.0 O B:HOH1619 4.7 23.1 1.0 C1 B:EDO1507 5.0 22.2 1.0 CG B:ASP1384 5.0 13.0 1.0

T.Krojer, R.Talon, M.Fairhead, A.Szykowska, N.A.Burgess-Brown, P.E.Brennan, C.H.Arrowsmith, A.M.Edwards, C.Bountra, F.Von Delft. Xchem Group Deposition To Be Published.