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Bromine in PDB 2awd: Crystal Structure of Lacc From Enterococcus Faecalis

Enzymatic activity of Crystal Structure of Lacc From Enterococcus Faecalis

All present enzymatic activity of Crystal Structure of Lacc From Enterococcus Faecalis:
2.7.1.144;

Protein crystallography data

The structure of Crystal Structure of Lacc From Enterococcus Faecalis, PDB code: 2awd was solved by J.Gorman, L.Shapiro, S.K.Burley, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.209, 62.236, 91.972, 90.00, 99.28, 90.00
R / Rfree (%) 19.3 / 24.6

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Lacc From Enterococcus Faecalis (pdb code 2awd). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Crystal Structure of Lacc From Enterococcus Faecalis, PDB code: 2awd:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in 2awd

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Bromine binding site 1 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


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 Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:31.6
occ:1.00
 O A:HOH419 3.3 25.7 1.0
N A:LYS38 3.5 25.1 1.0
N A:SER136 3.5 28.5 1.0
NH2 A:ARG88 3.5 32.0 1.0
OG A:SER136 3.8 32.9 1.0
CA A:GLY37 3.8 26.8 1.0
CA A:GLY135 4.0 27.6 1.0
O A:HOH437 4.0 27.1 1.0
C A:GLY37 4.2 26.5 1.0
CB A:SER136 4.2 30.3 1.0
O A:HOH425 4.2 23.9 1.0
CG A:LYS38 4.2 30.1 1.0
CB A:LYS38 4.3 26.6 1.0
C A:GLY135 4.3 28.2 1.0
O A:ASN8 4.4 26.0 1.0
CA A:SER136 4.4 30.0 1.0
CA A:LYS38 4.5 26.9 1.0
CD A:LYS38 4.6 31.2 1.0
CZ A:ARG88 4.8 33.2 1.0
O A:SER136 4.8 28.8 1.0

Bromine binding site 2 out of 12 in 2awd

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Bromine binding site 2 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


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 Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br403

b:37.7
occ:1.00
 O A:HOH436 3.1 19.0 1.0
N A:ALA312 3.4 29.8 1.0
CB A:ALA312 3.8 32.7 1.0
CA A:ILE311 4.1 26.2 1.0
CG2 A:ILE311 4.2 26.1 1.0
CA A:ALA312 4.2 32.8 1.0
C A:ILE311 4.2 27.9 1.0
O A:GLU310 4.6 24.2 1.0
CB A:ILE311 4.7 25.8 1.0
O A:ALA312 4.9 34.1 1.0

Bromine binding site 3 out of 12 in 2awd

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Bromine binding site 3 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


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 Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br404

b:50.4
occ:1.00
 NE A:ARG44 3.5 36.0 1.0
CD A:PRO35 3.7 30.6 1.0
CG A:PRO35 3.8 30.0 1.0
CB A:ALA74 3.9 34.2 1.0
CD A:ARG44 4.0 31.6 1.0
O A:HOH460 4.1 31.0 1.0
CD2 A:LEU71 4.2 31.1 1.0
CD1 A:ILE76 4.2 29.8 1.0
O A:GLU70 4.2 31.7 1.0
CG A:ARG44 4.3 30.4 1.0
CB A:PRO35 4.5 29.4 1.0
CZ A:ARG44 4.5 39.6 1.0
NH2 A:ARG44 4.6 40.8 1.0
C A:GLU70 4.6 31.2 1.0
O A:HOH560 4.7 41.1 1.0
CA A:LEU71 4.8 32.4 1.0
N A:LEU71 4.9 31.3 1.0
CB A:GLU70 4.9 30.7 1.0
CG2 A:THR34 4.9 35.0 1.0

Bromine binding site 4 out of 12 in 2awd

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Bromine binding site 4 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


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 Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br408

b:35.6
occ:0.50
 N A:GLY106 3.4 32.1 1.0
O A:HOH453 3.5 39.1 1.0
N A:ALA105 3.6 34.1 1.0
CA B:SER29 3.8 43.6 1.0
CG2 B:VAL31 3.9 38.7 1.0
CB A:ALA105 4.0 34.3 1.0
CB A:GLU104 4.0 34.0 1.0
CA A:ALA105 4.2 34.3 1.0
O B:SER29 4.2 43.6 1.0
O B:THR28 4.2 45.4 1.0
O A:GLY106 4.2 29.9 1.0
C B:SER29 4.3 43.3 1.0
CA A:GLY106 4.3 30.7 1.0
C A:ALA105 4.3 33.8 1.0
CB B:VAL31 4.3 37.8 1.0
CB B:SER29 4.4 43.8 1.0
C A:GLU104 4.4 34.2 1.0
CA A:GLU104 4.5 34.6 1.0
C A:GLY106 4.6 29.9 1.0
CG A:GLU104 4.7 33.2 1.0
N B:SER29 4.9 44.4 1.0
C B:THR28 4.9 45.5 1.0
OE1 A:GLU104 4.9 27.4 1.0

Bromine binding site 5 out of 12 in 2awd

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Bromine binding site 5 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


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 Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br410

b:35.7
occ:0.50
 O A:HOH584 3.1 50.2 1.0
OE1 A:GLN174 3.4 45.3 1.0
CG A:GLN171 4.1 34.9 1.0
CD A:GLN174 4.2 39.1 1.0
NE2 A:GLN174 4.2 42.8 1.0
NE2 A:GLN171 4.5 32.9 1.0
CD A:GLN171 4.6 36.1 1.0

Bromine binding site 6 out of 12 in 2awd

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Bromine binding site 6 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


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 Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br411

b:35.5
occ:0.50
 N A:LYS313 3.3 37.7 1.0
CE A:LYS313 3.4 44.3 1.0
CG A:LYS313 3.5 41.8 1.0
CA A:ALA312 3.6 32.8 1.0
CD A:LYS313 3.9 44.6 1.0
C A:ALA312 4.0 34.6 1.0
CB A:ALA312 4.1 32.7 1.0
CB A:LYS313 4.3 40.9 1.0
CA A:LYS313 4.4 40.0 1.0
O A:ILE311 4.7 25.9 1.0
NZ A:LYS313 4.7 45.8 1.0
N A:ALA312 4.8 29.8 1.0

Bromine binding site 7 out of 12 in 2awd

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Bromine binding site 7 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


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 Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br412

b:46.7
occ:0.50
 O A:HOH562 3.1 37.0 1.0
CA A:GLY135 3.8 27.6 1.0
OG A:SER165 3.9 38.8 1.0
CE A:LYS38 3.9 38.4 1.0
CD A:LYS38 4.0 31.2 1.0
CA A:THR164 4.1 33.2 1.0
C A:GLY135 4.1 28.2 1.0
N A:SER165 4.1 35.0 1.0
N A:GLY135 4.1 27.9 1.0
OG1 A:THR164 4.3 38.7 1.0
O A:GLY135 4.3 27.2 1.0
O A:ASP163 4.3 30.0 1.0
C A:THR164 4.4 33.5 1.0
N A:SER136 4.7 28.5 1.0
CB A:SER165 4.7 36.4 1.0
CB A:THR164 4.7 32.9 1.0
NZ A:LYS38 4.7 41.3 1.0

Bromine binding site 8 out of 12 in 2awd

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Bromine binding site 8 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br402

b:32.5
occ:1.00
 N B:SER136 3.4 35.6 1.0
NH2 B:ARG88 3.5 30.4 1.0
O B:HOH413 3.5 26.5 1.0
N B:LYS38 3.5 27.6 1.0
CA B:GLY135 3.8 32.6 1.0
CA B:GLY37 3.8 27.8 1.0
OG B:SER136 3.9 38.4 1.0
C B:GLY135 4.1 34.0 1.0
O B:HOH423 4.2 22.9 1.0
CG B:LYS38 4.2 28.6 1.0
C B:GLY37 4.2 27.7 1.0
O B:HOH415 4.3 24.0 1.0
CB B:SER136 4.4 35.7 1.0
O B:ASN8 4.4 29.3 1.0
CB B:LYS38 4.4 26.6 1.0
CA B:SER136 4.4 36.3 1.0
CD B:LYS38 4.5 30.7 1.0
CA B:LYS38 4.6 27.4 1.0
CZ B:ARG88 4.8 30.4 1.0
O B:SER136 4.9 35.4 1.0
O B:HOH478 5.0 39.1 1.0

Bromine binding site 9 out of 12 in 2awd

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Bromine binding site 9 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br405

b:48.7
occ:1.00
 CG2 B:THR164 3.0 36.6 1.0
N B:LEU169 3.2 43.4 1.0
OG B:SER168 3.2 43.7 1.0
CA B:LEU169 3.4 42.6 1.0
O B:HOH448 3.4 41.7 1.0
C B:SER168 3.4 44.1 1.0
O B:HOH569 3.5 50.1 1.0
CB B:SER168 3.6 44.1 1.0
OG1 B:THR164 3.6 40.0 1.0
O B:SER168 3.7 43.9 1.0
CB B:THR164 3.9 38.6 1.0
CD2 B:TYR146 3.9 34.4 1.0
O B:HOH439 4.0 38.4 1.0
CG2 B:VAL172 4.1 37.7 1.0
CB B:LEU169 4.2 42.7 1.0
CA B:SER168 4.2 44.0 1.0
CB B:TYR146 4.2 34.4 1.0
CG B:TYR146 4.6 34.0 1.0
C B:LEU169 4.7 41.9 1.0
CD2 B:LEU162 4.7 31.8 1.0
CD1 B:LEU162 4.7 32.6 1.0
CB B:VAL172 4.9 37.3 1.0
CE2 B:TYR146 5.0 32.0 1.0

Bromine binding site 10 out of 12 in 2awd

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Bromine binding site 10 out of 12 in the Crystal Structure of Lacc From Enterococcus Faecalis


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of Lacc From Enterococcus Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br406

b:49.9
occ:1.00
 CG B:MSE213 3.2 43.3 1.0
N B:MSE213 3.5 38.2 1.0
CD B:PRO212 3.7 40.0 1.0
CB B:MSE213 3.7 40.1 1.0
CB B:LYS211 4.0 40.1 1.0
N B:PRO212 4.0 39.3 1.0
CA B:MSE213 4.0 39.8 1.0
CG B:PRO212 4.1 39.2 1.0
CB B:PRO212 4.2 40.0 1.0
C B:PRO212 4.4 38.7 1.0
CA B:PRO212 4.5 39.2 1.0
C B:LYS211 4.5 39.1 1.0
CD2 B:LEU193 4.6 48.2 1.0
CA B:LYS211 4.8 39.0 1.0
CG B:LYS211 4.8 42.3 1.0
SE B:MSE213 5.0 51.3 1.0

Reference:

J.Gorman, L.Shapiro. Crystal Structure of Lacc From Enterococcus Faecalis To Be Published.
Page generated: Wed Jul 10 17:45:12 2024

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