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Bromine in PDB 2fpr: Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.

Enzymatic activity of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.

All present enzymatic activity of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.:
3.1.3.15;

Protein crystallography data

The structure of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model., PDB code: 2fpr was solved by E.S.Rangarajan, M.Cygler, A.Matte, Montreal-Kingston Bacterialstructural Genomics Initiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 53.256, 131.962, 106.140, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 22

Other elements in 2fpr:

The structure of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Zinc (Zn) 2 atoms
Sodium (Na) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. (pdb code 2fpr). 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 the N-Terminal Domain of E. Coli Hisb. Apo Mg Model., PDB code: 2fpr:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7;

Bromine binding site 1 out of 7 in 2fpr

Go back to Bromine Binding Sites List in 2fpr
Bromine binding site 1 out of 7 in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br506

b:21.9
occ:1.00
 O A:HOH587 3.1 21.3 1.0
O A:HOH662 3.2 10.1 1.0
O A:HOH538 3.3 17.5 1.0
NZ A:LYS106 3.3 15.3 1.0
CE A:LYS106 3.4 19.1 1.0
O A:HOH675 3.4 9.3 1.0
OD1 A:ASP10 3.6 10.4 1.0
N A:ASN56 3.6 11.9 1.0
CB A:ASN56 3.7 13.0 1.0
O A:HOH519 3.9 10.5 1.0
ND2 A:ASN56 4.0 13.3 1.0
O A:HOH526 4.0 13.3 1.0
O A:HOH556 4.0 16.8 1.0
CG A:ASN56 4.0 13.5 1.0
CA A:ASN56 4.2 12.6 1.0
O A:ASN56 4.2 13.2 1.0
CG A:ASP10 4.5 8.8 1.0
MG A:MG503 4.5 11.9 1.0
OD1 A:ASP135 4.6 12.8 1.0
C A:THR55 4.6 12.1 1.0
C A:ASN56 4.7 12.7 1.0
CA A:THR55 4.7 12.1 1.0
CD A:LYS106 4.8 19.2 1.0
OD1 A:ASN56 4.8 15.8 1.0
OD2 A:ASP10 4.9 9.4 1.0
CD A:ARG132 5.0 13.5 1.0
OG1 A:THR55 5.0 12.7 1.0

Bromine binding site 2 out of 7 in 2fpr

Go back to Bromine Binding Sites List in 2fpr
Bromine binding site 2 out of 7 in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br508

b:27.3
occ:1.00
 O B:HOH597 3.2 15.9 1.0
O B:HOH617 3.3 16.0 1.0
NE2 A:GLN40 3.4 13.9 1.0
CA A:GLY36 3.7 7.4 1.0
CG A:PRO157 3.9 11.2 1.0
CG A:PRO39 4.0 8.6 1.0
CD A:GLN40 4.3 9.6 1.0
CG A:GLN40 4.3 9.2 1.0
O A:GLY36 4.4 7.5 1.0
O B:HOH720 4.5 32.0 1.0
C A:GLY36 4.6 7.3 1.0
CB A:PRO39 4.6 8.7 1.0
CB A:PRO157 4.6 10.4 1.0
O B:HOH762 4.7 31.0 1.0
CD A:PRO157 4.7 9.3 1.0
N A:GLY36 4.8 7.6 1.0
O B:GLN84 5.0 8.8 1.0

Bromine binding site 3 out of 7 in 2fpr

Go back to Bromine Binding Sites List in 2fpr
Bromine binding site 3 out of 7 in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br512

b:37.1
occ:1.00
 OG1 A:THR82 3.2 10.5 1.0
O A:HOH645 3.3 30.9 1.0
O A:HOH677 3.5 32.0 1.0
CB A:THR82 3.6 9.7 1.0
O A:MET78 3.8 9.1 1.0
C A:MET78 3.9 7.7 1.0
CG2 A:THR82 4.0 10.3 1.0
N A:GLN79 4.1 6.3 0.5
CA A:GLN79 4.2 5.9 0.5
CB A:MET78 4.3 8.5 1.0
CA A:MET78 4.7 8.2 1.0
O A:HOH673 4.9 33.5 1.0

Bromine binding site 4 out of 7 in 2fpr

Go back to Bromine Binding Sites List in 2fpr
Bromine binding site 4 out of 7 in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br507

b:21.1
occ:1.00
 O B:HOH772 3.2 9.3 1.0
NZ B:LYS106 3.2 9.6 1.0
O B:HOH585 3.3 18.7 1.0
OD1 B:ASP10 3.6 8.4 1.0
O B:HOH780 3.6 11.0 1.0
N B:ASN56 3.7 9.9 1.0
CE B:LYS106 3.8 10.6 1.0
CD B:LYS106 3.8 12.3 1.0
CB B:ASN56 3.8 10.1 1.0
ND2 B:ASN56 3.9 9.9 1.0
CG B:ASN56 4.0 9.3 1.0
O B:HOH518 4.0 11.1 1.0
O B:HOH529 4.2 15.8 1.0
O B:HOH554 4.2 11.3 1.0
CA B:ASN56 4.3 10.0 1.0
O B:ASN56 4.4 11.1 1.0
CG B:ASP10 4.4 8.4 1.0
OG1 B:THR134 4.6 20.0 1.0
MG B:MG504 4.6 9.1 1.0
C B:THR55 4.7 10.0 1.0
OD1 B:ASP135 4.7 14.4 1.0
CA B:THR55 4.7 9.9 1.0
OD1 B:ASN56 4.7 10.6 1.0
OD2 B:ASP10 4.9 7.7 1.0
CB B:LYS106 4.9 10.7 1.0
C B:ASN56 4.9 10.2 1.0
CG B:LYS106 5.0 10.8 1.0

Bromine binding site 5 out of 7 in 2fpr

Go back to Bromine Binding Sites List in 2fpr
Bromine binding site 5 out of 7 in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br509

b:28.3
occ:1.00
 OG B:SER21 2.9 11.0 1.0
O B:HOH565 3.5 12.1 1.0
N B:SER21 3.6 9.4 1.0
CD B:PRO20 3.6 8.5 1.0
CB B:SER21 3.6 9.9 1.0
N B:PRO20 3.9 8.6 1.0
CB B:PRO19 3.9 9.3 1.0
CG B:PRO20 4.1 8.2 1.0
CA B:PRO19 4.2 8.9 1.0
CA B:SER21 4.2 9.8 1.0
C B:PRO19 4.2 8.8 1.0
C B:PRO20 4.5 9.2 1.0
CA B:PRO20 4.6 8.6 1.0
CE B:LYS30 4.9 12.5 1.0

Bromine binding site 6 out of 7 in 2fpr

Go back to Bromine Binding Sites List in 2fpr
Bromine binding site 6 out of 7 in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br510

b:29.0
occ:1.00
 O B:HOH773 3.2 39.6 1.0
O A:HOH572 3.2 18.1 1.0
NE2 B:GLN40 3.4 11.7 1.0
O B:HOH583 3.4 15.5 1.0
CA B:GLY36 3.7 7.3 1.0
CG B:PRO39 3.8 8.0 1.0
CG B:PRO157 3.9 10.5 1.0
O A:HOH582 4.0 27.1 1.0
CG B:GLN40 4.2 7.6 1.0
O A:HOH635 4.2 30.8 1.0
CD B:GLN40 4.3 9.5 1.0
O B:GLY36 4.3 7.1 1.0
CB B:PRO39 4.5 7.5 1.0
C B:GLY36 4.6 7.1 1.0
O A:HOH529 4.7 20.0 1.0
CB B:PRO157 4.7 10.0 1.0
CD B:PRO157 4.7 8.8 1.0
N B:GLY36 4.8 7.7 1.0

Bromine binding site 7 out of 7 in 2fpr

Go back to Bromine Binding Sites List in 2fpr
Bromine binding site 7 out of 7 in the Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure the N-Terminal Domain of E. Coli Hisb. Apo Mg Model. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br511

b:36.3
occ:1.00
 O B:HOH750 3.5 31.9 1.0
N B:ARG148 3.5 13.2 1.0
CD2 B:LEU154 3.7 13.4 1.0
CA B:LEU147 3.9 14.3 1.0
O B:GLY146 4.0 14.4 1.0
O B:HOH766 4.2 42.7 1.0
C B:LEU147 4.2 13.9 1.0
O B:HOH726 4.2 30.6 1.0
CB B:ARG148 4.4 14.2 1.0
CA B:ARG148 4.4 13.4 1.0
O B:HOH735 4.7 30.3 1.0
CB B:LEU147 4.8 14.8 1.0
O B:ARG148 4.8 11.5 1.0
CG B:LEU147 4.8 17.4 1.0
C B:GLY146 4.8 15.0 1.0
N B:LEU147 4.9 14.2 1.0

Reference:

E.S.Rangarajan, A.Proteau, J.Wagner, M.N.Hung, A.Matte, M.Cygler. Structural Snapshots of Escherichia Coli Histidinol Phosphate Phosphatase Along the Reaction Pathway. J.Biol.Chem. V. 281 37930 2006.
ISSN: ISSN 0021-9258
PubMed: 16966333
DOI: 10.1074/JBC.M604916200
Page generated: Wed Jul 10 18:00:06 2024

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