Bromine in PDB 4err: 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5

The structure of 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5, PDB code: 4err was solved by G.Minasov, Z.Wawrzak, B.Geissler, L.Shuvalova, I.Dubrovska, J.Winsor, K.J.Satchell, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.22 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.896, 49.874, 72.102, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 21.5

The structure of 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Bromine atom in the 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5 (pdb code 4err). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5, PDB code: 4err:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3701 b:27.5 occ:0.70 O B:HOH3809 3.1 30.5 1.0 O B:HOH3887 3.2 44.5 1.0 CL B:CL3702 3.3 26.4 0.7 OG A:SER3652 3.3 25.6 1.0 OH B:TYR3645 3.7 26.0 1.0 CB B:SER3652 3.7 24.4 1.0 CB A:SER3652 3.7 24.2 1.0 OD1 A:ASN3655 3.7 26.5 1.0 NH1 A:ARG3654 3.8 31.4 1.0 CA B:SER3652 3.9 24.0 1.0 CD A:ARG3654 4.0 25.5 1.0 CG2 B:ILE3609 4.1 24.9 1.0 CZ A:ARG3654 4.1 27.8 1.0 NE A:ARG3654 4.2 25.1 1.0 CB A:ARG3654 4.4 23.6 1.0 CG A:ASN3655 4.6 26.0 1.0 N B:SER3652 4.7 24.3 1.0 CG A:ARG3654 4.8 26.2 1.0 O B:HOH3886 4.8 33.0 1.0 O B:HOH3822 4.8 34.1 1.0 O A:HOH3812 4.8 20.0 0.5 NH2 A:ARG3654 5.0 33.1 1.0

Bromine binding site 2 out of 2 in the 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br3701 b:26.2 occ:0.70 O B:HOH3886 3.1 33.0 1.0 OG B:SER3652 3.2 23.8 1.0 O A:HOH3845 3.2 30.8 1.0 CL A:CL3702 3.3 26.9 0.8 CB B:SER3652 3.7 24.4 1.0 OD1 B:ASN3655 3.7 28.5 1.0 OH A:TYR3645 3.7 26.1 1.0 CB A:SER3652 3.8 24.2 1.0 NH1 B:ARG3654 3.8 34.1 1.0 CD B:ARG3654 4.0 28.9 1.0 CA A:SER3652 4.1 23.6 1.0 CG2 A:ILE3609 4.1 22.1 1.0 CZ B:ARG3654 4.3 34.0 1.0 NE B:ARG3654 4.3 30.7 1.0 CB B:ARG3654 4.4 25.3 1.0 CG B:ASN3655 4.5 25.2 1.0 O B:HOH3805 4.7 30.5 1.0 CG B:ARG3654 4.7 27.4 1.0 O A:HOH3802 4.8 19.9 0.5 O B:HOH3809 4.8 30.5 1.0 N A:SER3652 4.8 23.9 1.0 CD1 A:ILE3609 5.0 22.2 1.0 O B:HOH3803 5.0 26.2 1.0

G.Minasov, Z.Wawrzak, B.Geissler, L.Shuvalova, I.Dubrovska, J.Winsor, K.J.Satchell, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio Vulnificus Martx Effector Domain DUF5. To Be Published.