Bromine in PDB 8b3w: Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei

The structure of Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei, PDB code: 8b3w was solved by M.Chandra, C.E.Stebbins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.29 / 1.68
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.614, 69.614, 115.36, 90, 90, 120
R / Rfree (%)	17.2 / 20.9

The binding sites of Bromine atom in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei (pdb code 8b3w). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei, PDB code: 8b3w:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:74.2 occ:0.63 H A:ALA28 2.2 21.5 1.0 HA A:ALA27 3.0 24.8 1.0 N A:ALA28 3.0 17.9 1.0 HG21 A:THR232 3.1 28.2 1.0 O A:HOH556 3.1 38.5 1.0 HG23 A:THR232 3.2 28.2 1.0 HB3 A:ALA28 3.2 19.9 1.0 HB1 A:ALA27 3.4 24.4 1.0 CG2 A:THR232 3.5 23.5 1.0 HB2 A:ALA28 3.7 19.9 1.0 CA A:ALA27 3.7 20.7 1.0 HG22 A:THR232 3.7 28.2 1.0 CB A:ALA28 3.7 16.7 1.0 C A:ALA27 3.9 20.4 1.0 CB A:ALA27 3.9 20.3 1.0 CA A:ALA28 4.0 21.5 1.0 HB2 A:ALA27 4.1 24.4 1.0 O A:ALA28 4.5 19.5 1.0 HB1 A:ALA28 4.7 19.9 1.0 HA A:ALA28 4.7 25.8 1.0 C A:ALA28 4.7 17.3 1.0 HB3 A:ALA27 4.8 24.4 1.0 HG1 A:THR232 4.9 32.8 1.0 CB A:THR232 4.9 24.1 1.0 N A:ALA27 5.0 18.9 1.0 O A:VAL26 5.0 17.1 1.0

Bromine binding site 2 out of 6 in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:36.1 occ:0.71 H A:ASN330 2.6 21.7 1.0 HA A:PRO340 3.0 17.3 1.0 HB3 A:TYR329 3.1 17.8 1.0 HB3 A:ASN330 3.2 23.1 1.0 HA3 A:GLY339 3.2 25.1 1.0 HD2 A:TYR329 3.2 18.4 1.0 HA3 A:GLY212 3.2 21.7 1.0 O A:HOH639 3.3 39.5 1.0 N A:ASN330 3.4 18.1 1.0 OE1 A:GLN333 3.5 23.5 1.0 HB2 A:GLN333 3.7 26.8 1.0 HA A:TYR329 3.8 15.6 1.0 CA A:PRO340 3.8 14.4 1.0 HB3 A:PRO340 3.8 18.3 1.0 O A:HOH631 3.9 31.0 1.0 CB A:ASN330 3.9 19.2 1.0 CB A:TYR329 3.9 14.8 1.0 HB2 A:ASN330 4.0 23.1 1.0 N A:PRO340 4.0 16.5 1.0 CA A:GLY339 4.0 20.9 1.0 CD2 A:TYR329 4.1 15.3 1.0 CA A:ASN330 4.2 19.1 1.0 C A:GLY339 4.2 20.4 1.0 CA A:GLY212 4.2 18.1 1.0 CA A:TYR329 4.2 13.0 1.0 HB3 A:GLN333 4.2 26.8 1.0 O A:ASN330 4.3 17.1 1.0 HA2 A:GLY339 4.3 25.1 1.0 C A:TYR329 4.3 17.5 1.0 CB A:PRO340 4.4 15.2 1.0 CB A:GLN333 4.4 22.3 1.0 HA2 A:GLY212 4.5 21.7 1.0 O A:GLY212 4.5 25.2 1.0 O A:VAL211 4.5 14.8 1.0 CG A:TYR329 4.5 16.8 1.0 CD A:GLN333 4.6 28.1 1.0 HB2 A:TYR329 4.7 17.8 1.0 C A:ASN330 4.7 15.2 1.0 HB2 A:PHE334 4.7 17.2 1.0 H A:TYR341 4.8 18.8 1.0 C A:GLY212 4.8 21.3 1.0 HD3 A:PRO340 4.8 22.9 1.0 H A:PHE334 4.9 17.4 1.0 CD A:PRO340 4.9 19.1 1.0 O A:GLY339 5.0 18.3 1.0 HZ1 A:LYS213 5.0 58.4 1.0

Bromine binding site 3 out of 6 in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:29.8 occ:0.70 H A:LYS49 2.6 17.7 1.0 HA A:THR48 3.2 21.6 1.0 HB2 A:LYS49 3.4 23.4 1.0 N A:LYS49 3.5 14.7 1.0 HD2 A:LYS49 3.7 50.4 1.0 HG23 A:THR48 3.7 28.0 1.0 CA A:THR48 4.1 18.0 1.0 CB A:LYS49 4.1 19.4 1.0 HG3 A:LYS49 4.1 30.1 1.0 C A:THR48 4.3 17.6 1.0 CA A:LYS49 4.4 14.1 1.0 CG A:LYS49 4.4 25.1 1.0 CD A:LYS49 4.5 42.0 1.0 HZ2 A:LYS49 4.5 62.6 1.0 CG2 A:THR48 4.5 23.3 1.0 O A:ALA47 4.6 22.1 1.0 HG22 A:THR48 4.8 28.0 1.0 CB A:THR48 4.8 20.4 1.0 O A:LYS49 4.9 18.9 1.0 HB3 A:LYS49 4.9 23.4 1.0

Bromine binding site 4 out of 6 in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br404 b:56.9 occ:0.85 HH21 A:ARG73 2.7 61.7 1.0 HA3 A:GLY69 2.9 43.3 1.0 HE A:ARG73 3.1 56.6 1.0 HE1 A:TYR102 3.2 57.7 1.0 HH A:TYR102 3.2 55.3 1.0 HD2 A:HIS143 3.3 45.3 1.0 HG1 A:THR146 3.4 37.9 1.0 NH2 A:ARG73 3.5 51.4 1.0 HG11 A:VAL109 3.7 48.5 1.0 CA A:GLY69 3.7 36.1 1.0 CD2 A:HIS143 3.8 37.7 1.0 C A:GLY69 3.8 35.9 1.0 HE2 A:HIS143 3.8 46.7 1.0 NE A:ARG73 3.9 47.1 1.0 O A:GLY69 3.9 34.3 1.0 OH A:TYR102 3.9 46.0 1.0 CE1 A:TYR102 3.9 48.0 1.0 OG1 A:THR146 4.0 31.6 1.0 HG12 A:VAL109 4.0 48.5 1.0 NE2 A:HIS143 4.0 38.9 1.0 HA2 A:GLY69 4.1 43.3 1.0 HH22 A:ARG73 4.1 61.7 1.0 CZ A:ARG73 4.2 49.6 1.0 HB A:THR146 4.2 32.9 1.0 CG1 A:VAL109 4.3 40.4 1.0 CZ A:TYR102 4.4 49.6 1.0 N A:LEU70 4.4 27.1 1.0 H A:LEU70 4.6 32.6 1.0 CB A:THR146 4.6 27.4 1.0 HA A:ALA66 4.7 36.1 1.0 CG A:HIS143 4.8 36.1 1.0 HA A:LEU70 4.8 40.2 1.0 HB A:VAL109 4.9 52.9 1.0 H A:GLY69 4.9 35.1 1.0 N A:GLY69 4.9 29.2 1.0 HG21 A:THR146 4.9 30.0 1.0 O A:ALA66 5.0 31.5 1.0

Bromine binding site 5 out of 6 in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br405 b:62.0 occ:0.55 HD22 A:ASN299 2.4 31.1 1.0 HH11 A:ARG300 2.5 22.1 1.0 O A:HOH714 2.7 33.1 1.0 HB3 A:ASN299 2.9 25.6 1.0 HA A:ALA312 3.0 31.2 1.0 HD3 A:ARG300 3.1 25.8 1.0 HB2 A:ALA312 3.1 29.1 1.0 O A:HOH704 3.2 51.5 1.0 ND2 A:ASN299 3.3 25.9 1.0 NH1 A:ARG300 3.3 18.4 1.0 O A:SER310 3.3 20.9 1.0 HD2 A:ARG300 3.4 25.8 1.0 O A:HOH645 3.6 35.9 1.0 HH12 A:ARG300 3.6 22.1 1.0 CA A:ALA312 3.7 26.0 1.0 CD A:ARG300 3.7 21.5 1.0 CB A:ASN299 3.8 21.4 1.0 CB A:ALA312 3.8 24.2 1.0 HD21 A:ASN299 3.8 31.1 1.0 N A:ALA312 3.8 24.2 1.0 HB2 A:SER310 3.9 29.4 1.0 H A:ALA312 4.0 29.0 1.0 CG A:ASN299 4.0 27.4 1.0 HB1 A:ALA312 4.1 29.1 1.0 HB2 A:ASN299 4.2 25.6 1.0 O A:HOH548 4.2 17.1 1.0 C A:SER310 4.3 22.2 1.0 CZ A:ARG300 4.3 23.2 1.0 HG1 A:THR297 4.3 31.0 1.0 C A:GLY311 4.4 20.1 1.0 NE A:ARG300 4.5 19.4 1.0 OG A:SER310 4.6 24.3 1.0 OG1 A:THR297 4.6 25.8 1.0 HB3 A:ALA312 4.6 29.1 1.0 CB A:SER310 4.6 24.5 1.0 O A:ASN299 4.7 21.6 1.0 O A:HOH665 4.7 25.0 1.0 HG A:SER310 4.7 29.2 1.0 O A:HOH544 4.7 31.1 1.0 HG2 A:ARG300 4.7 22.2 1.0 HA3 A:GLY311 4.8 26.8 1.0 C A:ASN299 4.8 25.2 1.0 O A:GLY311 4.8 17.9 1.0 CA A:ASN299 4.9 21.7 1.0 CG A:ARG300 4.9 18.5 1.0 CA A:GLY311 4.9 22.3 1.0 N A:GLY311 5.0 21.5 1.0

Bromine binding site 6 out of 6 in the Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br406 b:70.8 occ:0.65 O A:HOH744 2.6 24.5 1.0 HD2 A:LYS161 2.9 67.9 1.0 HZ3 A:LYS161 3.1 79.2 1.0 HB3 A:LYS161 3.7 32.7 1.0 CD A:LYS161 3.8 56.6 1.0 NZ A:LYS161 3.8 66.0 1.0 HZ1 A:LYS161 3.9 79.2 1.0 HG3 A:LYS161 4.2 47.8 1.0 CB A:LYS161 4.3 27.2 1.0 HB2 A:LYS161 4.3 32.7 1.0 CG A:LYS161 4.3 39.8 1.0 CE A:LYS161 4.4 65.2 1.0 HD3 A:LYS161 4.4 67.9 1.0 HZ2 A:LYS161 4.6 79.2 1.0 HE2 A:LYS161 4.6 78.2 1.0 HG2 A:LYS158 4.9 62.5 1.0

M.Chandra, C.E.Stebbins. Structure of Metacyclic Vsg (Mvsg) 1954 From Trypanosoma Brucei To Be Published.