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Bromine in PDB 3zrg: Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans

Protein crystallography data

The structure of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans, PDB code: 3zrg was solved by S.R.F.King, L.S.Boutemy, J.Win, R.K.Hughes, T.A.Clarke, T.M.A.Blumenschein, S.Kamoun, M.J.Banfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.70 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.450, 52.920, 53.730, 90.00, 90.00, 90.00
R / Rfree (%) 18.937 / 24.55

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans (pdb code 3zrg). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 7 binding sites of Bromine where determined in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans, PDB code: 3zrg:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 3zrg

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Bromine binding site 1 out of 7 in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1121

b:17.5
occ:0.50
 N A:ALA57 3.3 29.5 1.0
NH2 A:ARG110 3.4 20.6 0.5
CB A:ALA57 3.6 28.6 1.0
N A:LEU58 3.6 25.5 1.0
O A:HOH2063 3.6 42.2 1.0
CA A:GLY55 3.7 29.9 1.0
C A:GLY55 3.7 29.9 1.0
CA A:ALA57 3.8 28.8 1.0
CD A:PRO56 3.9 32.4 1.0
N A:PRO56 3.9 30.9 1.0
C A:ALA57 4.0 27.1 1.0
O A:GLY55 4.2 29.2 1.0
CD1 A:LEU103 4.3 21.7 1.0
CE A:LYS107 4.3 22.7 1.0
C A:PRO56 4.4 30.8 1.0
CG A:LYS107 4.4 18.0 1.0
CB A:LEU58 4.5 22.2 1.0
CZ A:ARG110 4.6 22.8 0.5
CA A:LEU58 4.6 23.3 1.0
N A:GLY55 4.7 28.9 1.0
CA A:PRO56 4.7 32.2 1.0
O A:LEU58 4.8 24.5 1.0
CG A:PRO56 4.9 33.2 1.0
CD A:LYS107 4.9 18.5 1.0
NH1 A:ARG110 5.0 27.8 0.5

Bromine binding site 2 out of 7 in 3zrg

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Bromine binding site 2 out of 7 in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1122

b:35.2
occ:1.00
 O A:HOH2046 3.1 26.6 1.0
CD A:LYS85 3.9 24.6 1.0
CA A:LEU99 3.9 14.0 1.0
CE A:LYS85 4.0 28.5 1.0
CG2 A:THR102 4.0 16.4 1.0
N A:LEU99 4.1 14.7 1.0
C A:LYS98 4.3 16.2 1.0
CD1 A:LEU99 4.3 14.0 1.0
CB A:LEU99 4.3 14.2 1.0
CG A:LYS85 4.4 20.6 1.0
O A:LYS98 4.4 16.8 1.0
NZ A:LYS85 4.5 30.2 1.0
O A:HOH2032 4.7 27.7 1.0
CB A:LYS98 4.8 18.2 1.0
CB A:LYS85 4.8 16.8 1.0
CG A:LEU99 4.9 13.6 1.0

Bromine binding site 3 out of 7 in 3zrg

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Bromine binding site 3 out of 7 in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1123

b:18.7
occ:0.50
 NZ A:LYS107 3.2 21.5 1.0
CG A:LYS104 3.9 16.5 1.0
CE A:LYS107 4.0 22.7 1.0
CD2 A:LEU103 4.1 22.7 1.0
CE A:LYS104 4.3 26.1 1.0
CG A:LEU103 4.4 19.8 1.0
CD A:LYS107 4.6 18.5 1.0
CD A:LYS104 4.7 21.0 1.0
O A:HOH2055 4.9 19.1 1.0
N A:LYS104 5.0 15.2 1.0
CB A:LEU103 5.0 19.6 1.0
CA A:LYS104 5.0 14.4 1.0

Bromine binding site 4 out of 7 in 3zrg

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Bromine binding site 4 out of 7 in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1124

b:23.2
occ:0.50
 OH A:TYR76 3.1 15.4 1.0
NZ A:LYS107 3.2 21.5 1.0
CD A:LYS107 3.9 18.5 1.0
CE1 A:TYR76 4.0 10.8 1.0
CZ A:TYR76 4.1 11.8 1.0
CE A:LYS107 4.1 22.7 1.0
CD2 A:LEU80 4.2 20.2 1.0
O A:ALA57 4.3 29.0 1.0
CD1 A:LEU58 4.9 22.6 1.0

Bromine binding site 5 out of 7 in 3zrg

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Bromine binding site 5 out of 7 in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1120

b:16.5
occ:0.50
 NE B:ARG110 3.2 25.0 1.0
O B:HOH2006 3.4 30.0 1.0
N B:LEU58 3.5 23.7 1.0
CG B:LYS107 3.5 18.1 1.0
NH2 B:ARG110 3.6 31.3 1.0
CZ B:ARG110 3.9 28.0 1.0
CA B:LYS107 3.9 14.8 1.0
N B:LYS107 4.1 14.2 1.0
CB B:LEU58 4.1 20.5 1.0
CD B:ARG110 4.2 23.9 1.0
CB B:ALA57 4.2 27.9 1.0
CD1 B:LEU103 4.2 24.3 1.0
CA B:ALA57 4.2 26.7 1.0
CB B:LYS107 4.3 15.5 1.0
C B:LYS106 4.3 14.7 1.0
CA B:LEU58 4.3 22.5 1.0
C B:ALA57 4.3 25.6 1.0
O B:LYS106 4.4 14.5 1.0
CB B:LYS106 4.6 16.6 0.5
O B:LEU58 4.7 24.7 1.0
CB B:LYS106 4.7 16.3 0.5
O B:HOH2005 4.7 45.2 1.0
CB B:ARG110 4.7 15.3 1.0
CD B:LYS107 4.8 23.3 1.0
CG B:LEU58 4.8 22.6 1.0
C B:LEU58 4.9 22.8 1.0

Bromine binding site 6 out of 7 in 3zrg

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Bromine binding site 6 out of 7 in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1121

b:33.3
occ:0.50
 O B:HOH2040 3.4 25.4 1.0
CG2 B:THR102 3.8 22.1 1.0
CA B:LEU99 3.8 19.3 1.0
CD1 B:LEU99 4.1 22.9 1.0
N B:LEU99 4.1 20.2 1.0
CB B:LEU99 4.3 19.2 1.0
C B:LYS98 4.4 22.8 1.0
O B:LYS98 4.4 21.4 1.0
CD B:LYS85 4.5 29.1 1.0
O B:HOH2030 4.8 26.4 1.0
CB B:LYS98 4.8 26.8 1.0
NZ B:LYS85 4.8 36.4 1.0
CG B:LEU99 4.8 18.6 1.0
O B:HOH2042 5.0 30.2 1.0

Bromine binding site 7 out of 7 in 3zrg

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Bromine binding site 7 out of 7 in the Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Rxlr Effector PEXRD2 From Phytophthora Infestans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1122

b:27.8
occ:0.50
 O A:HOH2028 2.9 20.3 1.0
CG2 B:THR72 3.7 16.4 1.0
CG2 A:THR72 4.2 12.7 1.0
O B:HOH2016 4.4 26.2 1.0
O A:HOH2022 4.8 24.9 1.0
CB B:THR72 4.9 15.1 1.0

Reference:

L.S.Boutemy, S.R.F.King, J.Win, R.K.Hughes, T.A.Clarke, T.M.A.Blumenschein, S.Kamoun, M.J.Banfield. Structures of Phytophthora Rxlr Effector Proteins: A Conserved But Adaptable Fold Underpins Functional Diversity. J.Biol.Chem. V. 286 35834 2011.
ISSN: ISSN 0021-9258
PubMed: 21813644
DOI: 10.1074/JBC.M111.262303
Page generated: Wed Jul 10 20:42:44 2024

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