Bromine in PDB 2q44: Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540

The structure of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540, PDB code: 2q44 was solved by E.J.Levin, D.A.Kondrashov, G.E.Wesenberg, G.N.Phillips Jr., Center Foreukaryotic Structural Genomics (Cesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.29 / 1.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	27.349, 60.601, 29.424, 90.00, 91.50, 90.00
R / Rfree (%)	16.5 / 19

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Bromine atom in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 (pdb code 2q44). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 11 binding sites of Bromine where determined in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540, PDB code: 2q44:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br200 b:44.9 occ:0.50 CG A:MET30 3.8 16.9 0.5 O A:HOH296 3.9 40.1 0.5 CB A:MET30 4.1 13.3 0.5 CA A:GLY34 4.2 18.0 0.5 O A:HOH295 4.3 39.1 0.5 CE A:MET30 4.8 19.6 0.5 O A:HOH266 4.8 38.4 0.5 BR A:BR203 4.9 21.3 0.5 N A:GLY34 4.9 18.0 0.5

Bromine binding site 2 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:22.0 occ:0.50 O A:HOH325 3.2 43.8 0.5 BR A:BR202 3.2 21.5 0.5 NZ A:LYS48 3.4 24.2 0.5 CG2 A:THR19 3.7 9.4 0.5 CB A:THR19 3.9 8.4 0.5 O A:HOH243 3.9 28.2 0.5 CE A:LYS48 4.0 19.3 0.5 CD1 A:LEU53 4.2 9.5 0.5 CD2 A:LEU53 4.3 13.7 0.5 OG1 A:THR19 4.5 8.4 0.5 CB A:PRO6 4.5 26.7 0.5 OD1 A:ASP21 4.7 13.5 0.5 CG A:ASP21 4.8 14.5 0.5 O A:HOH289 4.8 40.7 0.5 CG A:LEU53 4.9 9.2 0.5

Bromine binding site 3 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:21.5 occ:0.50 O A:HOH243 2.8 28.2 0.5 N A:ASP21 2.9 10.7 0.5 CG A:ASP21 3.0 14.5 0.5 BR A:BR201 3.2 22.0 0.5 OD1 A:ASP21 3.3 13.5 0.5 CB A:ASP21 3.4 11.6 0.5 N A:GLU20 3.5 10.1 0.5 CA A:ASP21 3.7 11.5 0.5 CB A:THR19 3.7 8.4 0.5 C A:GLU20 3.8 13.1 0.5 CB A:GLU20 3.9 19.1 0.5 CA A:GLU20 4.0 12.4 0.5 OD2 A:ASP21 4.0 14.2 0.5 O A:HOH292 4.1 46.7 0.5 C A:THR19 4.2 6.4 0.5 OG1 A:THR19 4.2 8.4 0.5 OE1 A:GLU20 4.3 36.6 0.5 CA A:THR19 4.5 7.0 0.5 NZ A:LYS48 4.6 24.2 0.5 CG2 A:THR19 4.7 9.4 0.5 CG A:GLU20 4.7 28.6 0.5 C A:ASP21 4.9 9.2 0.5

Bromine binding site 4 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:21.3 occ:0.50 O A:MET30 3.1 13.3 0.5 N A:GLY34 3.3 18.0 0.5 C A:MET30 3.4 11.6 0.5 N A:ASN33 3.7 18.5 0.5 C A:ARG31 3.7 11.9 0.5 CB A:MET30 3.8 13.3 0.5 N A:ARG31 3.8 11.7 0.5 CA A:ARG31 3.9 12.6 0.5 CA A:ASN33 4.0 21.1 0.5 CA A:GLY34 4.0 18.0 0.5 O A:ARG31 4.1 10.4 0.5 N A:ASN32 4.2 13.2 0.5 C A:ASN33 4.2 19.9 0.5 CA A:MET30 4.4 10.9 0.5 O A:HOH238 4.4 37.0 0.5 C A:ASN32 4.4 14.2 0.5 BR A:BR200 4.9 44.9 0.5 CA A:ASN32 4.9 13.5 0.5

Bromine binding site 5 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:22.4 occ:0.50 OG A:SER89 3.3 17.3 0.5 CA A:ASN87 3.5 6.7 0.5 N A:SER89 3.5 9.1 0.5 N A:PRO88 3.6 9.2 0.5 C A:ASN87 3.6 10.9 0.5 CB A:SER89 3.8 14.5 0.5 CD A:PRO88 3.9 11.8 0.5 CG A:PRO88 4.1 14.4 0.5 CB A:ASN87 4.1 9.9 0.5 O A:ASN87 4.3 9.2 0.5 CA A:SER89 4.3 11.3 0.5 O A:ARG86 4.4 11.9 0.5 OD1 A:ASN87 4.4 16.3 0.5 CA A:PRO88 4.6 12.4 0.5 C A:PRO88 4.6 11.0 0.5 N A:ASN87 4.7 9.1 0.5 CG A:ASN87 4.7 11.1 0.5 C A:ARG86 5.0 9.7 0.5

Bromine binding site 6 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:20.3 occ:0.50 O A:HOH278 2.0 25.6 0.5 OG A:SER55 2.0 14.9 0.5 O A:HOH248 3.1 27.0 0.5 OH A:TYR78 3.3 13.4 0.5 CB A:SER55 3.4 7.5 0.5 CD1 A:PHE83 3.5 6.5 0.5 ND2 A:ASN87 3.7 9.4 0.5 CA A:PHE83 4.0 7.6 0.5 O A:THR82 4.1 8.6 0.5 CZ A:TYR78 4.1 11.3 0.5 CA A:SER55 4.3 7.1 0.5 CG2 A:THR82 4.3 13.4 0.5 CE1 A:PHE83 4.3 6.4 0.5 CE2 A:TYR78 4.4 11.7 0.5 CD A:ARG86 4.4 14.5 0.5 N A:PHE83 4.4 8.6 0.5 CG A:PHE83 4.5 6.4 0.5 CB A:PHE83 4.5 6.1 0.5 C A:THR82 4.6 10.2 0.5 CB A:ARG86 4.7 11.1 0.5 O A:PHE83 4.9 7.8 0.5 N A:SER55 4.9 7.9 0.5

Bromine binding site 7 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br206 b:11.8 occ:0.50 O A:HOH240 2.2 27.6 0.5 O A:HOH212 3.1 11.2 0.5 BR A:BR207 3.3 19.9 0.5 O A:HOH239 3.4 24.3 0.5 N A:ALA54 3.4 8.3 0.5 O A:HOH214 3.6 15.8 0.5 CB A:ALA54 3.7 10.5 0.5 N A:LEU53 3.8 8.8 0.5 CG2 A:VAL44 4.0 9.2 0.5 CG1 A:VAL44 4.2 9.1 0.5 CB A:VAL44 4.2 7.1 0.5 CA A:ALA54 4.3 8.7 0.5 C A:GLY52 4.3 8.5 0.5 C A:LEU53 4.3 7.2 0.5 CA A:LEU53 4.4 7.0 0.5 N A:GLY50 4.5 9.9 0.5 N A:GLY52 4.5 10.2 0.5 CA A:GLY52 4.5 8.5 0.5 CA A:ARG49 4.5 11.8 0.5 CG A:ARG49 4.6 16.5 0.5 NH1 A:ARG49 4.8 38.0 0.5 O A:HOH220 4.8 22.5 0.5 CB A:LEU53 4.9 7.8 0.5 O A:HOH304 4.9 40.8 0.5 CB A:ARG49 4.9 14.1 0.5 O A:LYS48 5.0 11.2 0.5

Bromine binding site 8 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br207 b:19.9 occ:0.50 O A:HOH239 2.5 24.3 0.5 N A:GLY52 2.9 10.2 0.5 N A:GLY50 3.0 9.9 0.5 CA A:GLY50 3.2 12.9 0.5 BR A:BR206 3.3 11.8 0.5 N A:LEU51 3.4 11.6 0.5 C A:GLY50 3.4 12.1 0.5 CA A:GLY52 3.4 8.5 0.5 O A:HOH212 3.7 11.2 0.5 O A:HOH214 3.8 15.8 0.5 C A:LEU51 4.0 10.3 0.5 C A:ARG49 4.3 10.9 0.5 O A:GLY50 4.3 13.1 0.5 CA A:LEU51 4.3 10.2 0.5 C A:GLY52 4.4 8.5 0.5 N A:LEU53 4.5 8.8 0.5 CA A:ARG49 4.7 11.8 0.5 O A:HOH240 4.8 27.6 0.5

Bromine binding site 9 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br208 b:20.1 occ:0.50 O A:HOH213 3.2 13.9 0.5 O A:HOH327 3.4 38.0 0.5 CB A:PRO88 3.4 14.5 0.5 NZ A:LYS91 3.5 20.0 0.5 CG A:PRO88 4.3 14.4 0.5 CE A:LYS91 4.3 20.1 0.5 CD A:LYS91 4.6 18.4 0.5 CA A:PRO88 4.7 12.4 0.5 O A:HOH274 4.8 34.0 0.5 CD A:PRO88 4.9 11.8 0.5

Bromine binding site 10 out of 11 in the Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Ensemble Refinement of the Protein Crystal Structure of Gene Product From Arabidopsis Thaliana AT1G77540 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br209 b:49.1 occ:0.50 ND2 A:ASN32 3.3 17.8 0.5 OD1 A:ASN32 3.6 19.2 0.5 O A:HOH277 3.8 37.3 0.5 CG A:ASN32 3.8 15.6 0.5 O A:HOH257 4.5 29.1 0.5 CD A:LYS35 4.5 29.1 0.5 CE A:LYS35 4.9 33.7 0.5

E.J.Levin, D.A.Kondrashov, G.E.Wesenberg, G.N.Phillips. Ensemble Refinement of Protein Crystal Structures: Validation and Application. Structure V. 15 1040 2007.
ISSN: ISSN 0969-2126
PubMed: 17850744
DOI: 10.1016/J.STR.2007.06.019