Chlorine in PDB 8be9: Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5

All present enzymatic activity of Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5:
3.6.5.2;

The structure of Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5, PDB code: 8be9 was solved by B.Fischer, A.Wohlkonig, J.Steyaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.65 / 2.51
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	150.41, 150.41, 200.98, 90, 90, 90
R / Rfree (%)	19 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5 (pdb code 8be9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5, PDB code: 8be9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5 within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl201 b:79.1 occ:1.00 N R:ASP33 3.6 59.4 1.0 O R:ASP33 4.0 64.3 1.0 CD1 R:TYR32 4.1 67.9 1.0 CA R:TYR32 4.2 65.1 1.0 CB R:SER39 4.2 68.0 1.0 CA R:SER39 4.3 70.6 1.0 C R:TYR32 4.4 61.2 1.0 CE1 R:TYR32 4.5 67.6 1.0 CA R:ASP33 4.5 61.7 1.0 CD1 R:ILE36 4.5 61.6 1.0 C R:ASP33 4.5 62.5 1.0 N R:SER39 4.6 71.8 1.0 O R:GLU31 4.7 86.1 1.0 CB R:ASP33 4.7 60.6 1.0 O R:ASP38 4.7 70.0 1.0 CG R:TYR32 4.7 62.9 1.0 CG1 R:ILE36 4.8 66.7 1.0 C R:ASP38 4.8 73.1 1.0 CG2 R:ILE24 5.0 58.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5 within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl202 b:79.5 occ:1.00 O R:ASP132 4.1 52.5 1.0 C R:ASP132 4.2 54.8 1.0 N R:LEU133 4.3 54.1 1.0 CA R:LEU133 4.4 51.8 1.0 CB R:ASP132 4.4 51.4 1.0 OG R:SER136 4.5 59.0 1.0 CB R:SER136 4.5 50.4 1.0 CB R:LEU133 5.0 51.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of SOS1-Hras-PEPTIDOMIMETIC5 within 5.0Å range: probe atom residue distance (Å) B Occ R:Cl203 b:86.2 occ:1.00 O R:GLN22 3.6 61.8 1.0 O R:LEU23 4.1 60.3 1.0 CD R:ARG149 4.2 80.3 1.0 CA R:LEU23 4.3 54.8 1.0 CD2 R:HIS27 4.3 109.6 1.0 C R:GLN22 4.5 60.0 1.0 NH1 R:ARG149 4.5 85.8 1.0 C R:LEU23 4.6 61.8 1.0 O R:GLN25 4.6 81.8 1.0 OE1 R:GLU153 4.6 70.9 1.0 O R:HOH310 4.7 52.9 1.0 CG R:HIS27 4.7 109.9 1.0 N R:LEU23 4.8 55.1 1.0 NE2 R:HIS27 4.9 99.7 1.0 CB R:ARG149 4.9 61.1 1.0 CG1 R:VAL152 4.9 58.5 1.0

K.Van Holsbeeck, B.Fischer, S.Gonzalez, C.Gadais, W.Versees, J.Martins, C.Martin, A.Wohlkonig, J.Steyaert, S.Ballet. Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on Ras. Angew.Chem.Int.Ed.Engl. 19095 2023.
ISSN: ESSN 1521-3773
PubMed: 37067463
DOI: 10.1002/ANIE.202219095