Chlorine in PDB 5f5p: Molecular Basis For SHROOM2 Recognition By ROCK1

All present enzymatic activity of Molecular Basis For SHROOM2 Recognition By ROCK1:
2.7.11.1;

The structure of Molecular Basis For SHROOM2 Recognition By ROCK1, PDB code: 5f5p was solved by J.K.Zalewski, A.P.Vandemark, A.Heroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 3.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.587, 133.795, 135.871, 90.00, 90.00, 90.00
R / Rfree (%)	27.1 / 28.7

The binding sites of Chlorine atom in the Molecular Basis For SHROOM2 Recognition By ROCK1 (pdb code 5f5p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Molecular Basis For SHROOM2 Recognition By ROCK1, PDB code: 5f5p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Molecular Basis For SHROOM2 Recognition By ROCK1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Molecular Basis For SHROOM2 Recognition By ROCK1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1701 b:0.0 occ:1.00 HG2 A:GLN1541 3.2 93.7 1.0 OD2 A:ASP1544 3.3 0.1 1.0 HE2 C:PHE852 3.9 0.6 1.0 HA A:GLN1541 3.9 0.2 1.0 HG3 A:GLN1541 4.0 93.7 1.0 CE2 C:PHE852 4.0 0.5 1.0 CG A:GLN1541 4.0 0.9 1.0 OE2 C:GLU849 4.2 0.8 1.0 CD2 C:PHE852 4.2 0.3 1.0 HD2 C:PHE852 4.3 0.1 1.0 CG A:ASP1544 4.4 0.1 1.0 CZ C:PHE852 4.5 1.0 1.0 HB2 A:ASP1544 4.5 0.9 1.0 OE1 C:GLU849 4.7 98.3 1.0 HZ C:PHE852 4.7 1.0 1.0 CA A:GLN1541 4.8 0.6 1.0 HB3 A:ASP1544 4.8 0.9 1.0 CB A:ASP1544 4.9 0.8 1.0 CD C:GLU849 4.9 0.1 1.0 CG C:PHE852 4.9 0.1 1.0 CB A:GLN1541 4.9 0.6 1.0 HD2 D:LYS857 5.0 0.8 1.0 OG D:SER853 5.0 95.0 1.0

Chlorine binding site 2 out of 2 in the Molecular Basis For SHROOM2 Recognition By ROCK1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Molecular Basis For SHROOM2 Recognition By ROCK1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1701 b:0.2 occ:1.00 HG2 B:GLN1541 3.1 0.2 1.0 OE2 D:GLU849 3.8 0.4 1.0 OD1 B:ASP1544 3.8 0.7 1.0 HG3 B:GLN1541 3.8 0.2 1.0 CG B:GLN1541 3.9 0.6 1.0 HA B:GLN1541 4.1 0.0 1.0 CE2 D:PHE852 4.2 0.2 1.0 HE2 D:PHE852 4.2 0.0 1.0 CD2 D:PHE852 4.3 0.6 1.0 OE1 D:GLU849 4.3 96.1 1.0 HD2 D:PHE852 4.3 0.0 1.0 HE21 B:GLN1541 4.4 0.5 1.0 HH D:TYR856 4.5 0.2 1.0 CD D:GLU849 4.5 99.0 1.0 HZ2 C:LYS857 4.5 0.2 1.0 CZ D:PHE852 4.6 0.4 1.0 HB3 C:SER853 4.7 97.1 1.0 CD B:GLN1541 4.8 0.8 1.0 CG D:PHE852 4.8 0.1 1.0 HB2 B:ASP1544 4.8 0.1 1.0 CG B:ASP1544 4.8 0.3 1.0 NE2 B:GLN1541 4.8 1.0 1.0 HB2 C:SER853 4.9 97.1 1.0 HE2 D:TYR856 4.9 0.4 1.0 CA B:GLN1541 4.9 0.3 1.0 CB B:GLN1541 4.9 0.1 1.0 HZ D:PHE852 4.9 0.6 1.0

J.K.Zalewski, J.H.Mo, S.Heber, A.Heroux, R.G.Gardner, J.D.Hildebrand, A.P.Vandemark. Structure of the Shroom-Rho Kinase Complex Reveals A Binding Interface with Monomeric Shroom That Regulates Cell Morphology and Stimulates Kinase Activity. J. Biol. Chem. V. 291 25364 2016.
ISSN: ESSN 1083-351X
PubMed: 27758857
DOI: 10.1074/JBC.M116.738559