Bromine in PDB 6s5h: Structure of the Human RAB38 in Complex with Gtp

The structure of Structure of the Human RAB38 in Complex with Gtp, PDB code: 6s5h was solved by L.Diaz-Saez, S.Jung, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, K.Huber, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.76 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	35.804, 144.174, 77.523, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.9

The structure of Structure of the Human RAB38 in Complex with Gtp also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the Structure of the Human RAB38 in Complex with Gtp (pdb code 6s5h). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Structure of the Human RAB38 in Complex with Gtp, PDB code: 6s5h:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Structure of the Human RAB38 in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the Human RAB38 in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Br312 b:28.3 occ:1.00 O A:HOH483 3.2 22.3 1.0 NE2 A:GLN69 3.3 25.3 1.0 CG A:GLN69 3.7 24.2 1.0 CD A:GLN69 4.0 28.1 1.0 CD1 A:LEU18 4.1 23.4 0.5 CE2 A:PHE72 4.1 23.8 1.0 CG A:LEU18 4.2 21.9 0.5 CB A:LEU18 4.5 19.4 0.5 CB A:LEU18 4.6 21.4 0.5 CD2 A:LEU18 4.7 19.0 0.5 CZ A:PHE72 4.8 24.9 1.0 CD2 A:PHE72 4.9 25.3 1.0 CB A:GLN69 4.9 23.7 1.0

Bromine binding site 2 out of 3 in the Structure of the Human RAB38 in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the Human RAB38 in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Br313 b:0.5 occ:0.50 O A:HOH506 3.1 27.6 1.0 O A:HOH421 3.1 31.0 1.0 O A:HOH431 3.5 32.1 1.0 CB A:ALA96 4.0 19.2 1.0 NH2 A:ARG94 4.4 21.7 1.0 CG2 A:THR97 4.6 18.8 1.0 O A:HOH436 4.8 33.9 1.0 C A:ALA96 4.9 18.9 1.0

Bromine binding site 3 out of 3 in the Structure of the Human RAB38 in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of the Human RAB38 in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Br314 b:77.3 occ:1.00 O A:HOH455 3.0 43.1 1.0 CB A:HIS37 3.8 32.8 1.0 CA A:HIS37 3.9 30.6 1.0 OG A:SER36 4.1 30.6 1.0 N A:HIS37 4.1 28.8 1.0 ND1 A:HIS37 4.3 35.7 1.0 CG A:HIS37 4.5 33.8 1.0 C A:SER36 4.6 28.9 1.0 O A:SER36 4.8 31.1 1.0

L.Diaz-Saez, S.A Jung, K.Huber, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra. Structure of the Human RAB38 in Complex with Gtp To Be Published.