Atomistry » Bromine » PDB 4alv-4d46 » 4b4p
Atomistry »
  Bromine »
    PDB 4alv-4d46 »
      4b4p »

Bromine in PDB 4b4p: Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.

Protein crystallography data

The structure of Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf., PDB code: 4b4p was solved by K.Moonens, J.Bouckaert, A.Coddens, T.Tran, S.Panjikar, M.De Kerpel, E.Cox, H.Remaut, H.De Greve, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.81 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.181, 74.382, 98.857, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 22.1

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf. (pdb code 4b4p). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 13 binding sites of Bromine where determined in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf., PDB code: 4b4p:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 1 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1148

b:24.2
occ:0.80
 N B:THR95 3.5 18.4 1.0
N B:ALA96 3.5 19.6 1.0
N A:ALA96 3.5 19.8 1.0
N A:THR95 3.5 19.7 1.0
O B:HOH2060 3.7 39.3 1.0
CA B:GLY94 3.8 16.9 1.0
CA A:GLY94 3.8 19.7 1.0
CB B:ALA96 4.0 19.7 1.0
CB A:ALA96 4.0 20.3 1.0
OG1 A:THR95 4.1 21.6 1.0
C B:GLY94 4.1 17.2 1.0
C A:GLY94 4.1 19.6 1.0
OG1 B:THR95 4.1 22.8 1.0
O A:ALA96 4.2 18.6 1.0
CA A:ALA96 4.2 19.0 1.0
CA B:ALA96 4.3 19.1 1.0
O B:ALA96 4.3 20.3 1.0
C B:THR95 4.4 19.8 1.0
CA B:THR95 4.4 19.3 1.0
C A:THR95 4.5 19.8 1.0
CA A:THR95 4.5 19.4 1.0
O A:HOH2074 4.6 25.0 1.0
C A:ALA96 4.7 19.2 1.0
C B:ALA96 4.8 20.1 1.0
CB A:THR95 4.9 20.2 1.0
CB B:THR95 4.9 18.7 1.0
N B:GLY94 5.0 16.7 1.0
O A:HOH2078 5.0 30.7 1.0

Bromine binding site 2 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 2 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1149

b:25.3
occ:0.50
 OG A:SER110 3.0 17.8 1.0
OG A:SER72 3.4 30.3 1.0
NE2 A:GLN31 3.5 30.8 1.0
O A:ARG70 3.6 13.8 1.0
O A:GLU108 3.6 14.2 1.0
CB A:GLU108 3.7 18.5 1.0
C A:GLU108 3.8 16.2 1.0
C A:ARG70 3.8 13.8 1.0
C A:VAL71 3.8 13.3 1.0
CA A:VAL71 3.9 13.1 1.0
N A:SER72 3.9 15.2 1.0
NE A:ARG70 3.9 32.2 1.0
N A:VAL71 4.0 12.9 1.0
CB A:SER110 4.0 15.1 1.0
CG A:ARG70 4.1 20.9 1.0
CB A:ARG70 4.1 15.9 1.0
N A:ILE109 4.1 14.8 1.0
N A:SER110 4.2 15.0 1.0
CB A:SER72 4.3 16.8 1.0
C A:ILE109 4.3 14.3 1.0
CA A:ILE109 4.4 14.6 1.0
O A:VAL71 4.4 12.0 1.0
CA A:GLU108 4.4 16.9 1.0
CD A:ARG70 4.5 18.7 1.0
BR A:BR1150 4.6 28.9 0.2
CD A:GLN31 4.6 26.2 1.0
CA A:ARG70 4.7 14.8 1.0
CA A:SER72 4.7 16.1 1.0
OE1 A:GLU108 4.7 30.4 1.0
CA A:SER110 4.7 13.8 1.0
OE2 A:GLU82 4.7 34.2 1.0
CG A:GLN31 4.8 20.3 1.0
CZ A:ARG70 4.8 36.4 1.0
NH2 A:ARG70 4.9 37.9 1.0

Bromine binding site 3 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 3 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1150

b:28.9
occ:0.22
 NH2 A:ARG70 2.7 37.9 1.0
OG A:SER110 3.1 17.8 1.0
O A:HOH2052 3.1 31.7 1.0
NE2 A:GLN31 3.3 30.8 1.0
CD A:GLN31 3.5 26.2 1.0
CZ2 A:TRP85 3.7 17.6 1.0
CZ A:ARG70 3.7 36.4 1.0
CB A:SER110 3.7 15.1 1.0
OE1 A:GLN31 3.9 30.7 1.0
CH2 A:TRP85 3.9 16.0 1.0
CG A:PRO25 3.9 26.2 1.0
NE A:ARG70 3.9 32.2 1.0
CB A:GLN31 4.0 21.0 1.0
CG A:GLN31 4.0 20.3 1.0
CG2 A:THR29 4.0 17.3 1.0
BR A:BR1149 4.6 25.3 0.5
CE2 A:TRP85 4.8 17.5 1.0
CB A:PRO25 4.9 24.5 1.0
NH1 A:ARG70 4.9 32.4 1.0
CD A:PRO25 5.0 24.4 1.0

Bromine binding site 4 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 4 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1151

b:27.6
occ:0.21
 OG1 A:THR48 3.0 20.9 1.0
CA A:CYS49 3.6 15.9 1.0
O A:THR48 3.6 16.1 1.0
C A:CYS49 3.7 16.3 1.0
N A:CYS49 3.7 14.7 1.0
C A:THR48 3.7 16.2 1.0
N A:GLN50 3.7 17.4 1.0
OG A:SER132 3.7 23.0 0.5
O A:SER130 3.9 17.2 1.0
CB A:SER132 4.0 18.3 0.5
CB A:THR48 4.0 18.3 1.0
CB A:SER132 4.1 19.2 0.5
N A:SER132 4.1 17.1 1.0
CA A:PHE131 4.3 17.4 1.0
CB A:GLN50 4.3 19.9 1.0
C A:SER130 4.3 18.8 1.0
C A:PHE131 4.3 17.3 1.0
O A:CYS49 4.3 15.4 1.0
OG A:SER130 4.4 28.3 1.0
N A:PHE131 4.4 17.6 1.0
O A:HOH2035 4.5 33.5 1.0
CA A:THR48 4.5 16.3 1.0
O A:HOH2036 4.6 31.4 1.0
CA A:GLN50 4.6 17.5 1.0
CA A:SER132 4.8 17.5 0.5
CA A:SER132 4.8 18.6 0.5
CB A:CYS49 5.0 16.7 1.0

Bromine binding site 5 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 5 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1152

b:29.1
occ:0.19
 N A:ALA7 3.6 34.6 1.0
CD1 A:TRP30 3.7 23.7 1.0
O A:HOH2001 3.7 50.5 1.0
CG2 A:THR22 4.0 24.4 1.0
CG A:MET24 4.1 27.2 1.0
CB A:ALA7 4.2 31.7 1.0
CA A:SER6 4.2 38.5 1.0
NE1 A:TRP30 4.2 24.1 1.0
OG A:SER6 4.4 45.2 1.0
C A:SER6 4.4 36.7 1.0
CA A:ALA7 4.4 31.4 1.0
SD A:MET24 4.7 29.3 1.0
CB A:THR22 4.7 22.7 1.0
O A:THR22 4.8 22.8 1.0
C A:THR22 4.9 23.9 1.0
CB A:SER6 4.9 38.7 1.0
C A:GLN23 4.9 24.4 1.0
CG A:TRP30 4.9 21.7 1.0
O A:ALA7 4.9 31.0 1.0
O A:HOH2020 4.9 35.8 1.0
O A:GLN23 5.0 23.0 1.0
N A:GLN23 5.0 23.7 1.0

Bromine binding site 6 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 6 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1153

b:27.0
occ:0.15
 N A:LYS101 3.2 21.4 1.0
CA A:LYS100 3.6 24.7 1.0
CB A:LYS100 3.7 26.1 1.0
CG A:LYS101 3.7 22.8 1.0
C A:LYS100 3.9 23.0 1.0
CB A:LYS101 4.0 21.7 1.0
CA A:LYS101 4.2 20.8 1.0
NZ A:LYS101 4.3 41.1 1.0
CD A:LYS101 4.3 28.5 1.0
O A:LYS101 4.8 20.0 1.0
CE A:LYS101 4.9 34.5 1.0
O A:ASN99 4.9 27.9 1.0
N A:LYS100 5.0 26.1 1.0

Bromine binding site 7 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 7 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1155

b:27.4
occ:0.34
 N A:GLY60 3.4 39.4 1.0
O A:HOH2044 3.4 38.5 1.0
CB A:TRP57 4.1 26.0 1.0
N A:ASN59 4.1 36.5 1.0
CA A:GLY60 4.2 39.3 1.0
O A:TRP57 4.3 24.5 1.0
CA A:ASN59 4.3 39.3 1.0
C A:ASN59 4.3 39.5 1.0
C A:TRP57 4.5 25.6 1.0
CG A:PRO121 4.6 23.5 1.0
C A:LYS58 4.6 33.8 1.0
N A:LYS58 4.8 27.8 1.0
CD A:PRO121 4.9 21.2 1.0
CA A:TRP57 5.0 25.2 1.0
CA A:LYS58 5.0 31.7 1.0

Bromine binding site 8 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 8 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1148

b:29.7
occ:0.50
 OG B:SER110 3.1 18.7 1.0
O B:GLU108 3.5 17.3 1.0
O B:ARG70 3.5 14.7 1.0
CB B:GLU108 3.7 19.4 1.0
C B:GLU108 3.7 17.2 1.0
C B:ARG70 3.8 15.5 1.0
CA B:VAL71 3.8 13.5 1.0
NE B:ARG70 3.8 29.3 1.0
CB B:SER110 3.8 16.3 1.0
C B:VAL71 3.8 14.1 1.0
N B:VAL71 3.9 13.6 1.0
N B:SER72 3.9 13.9 1.0
CG B:ARG70 3.9 24.5 1.0
NE2 B:GLN31 4.1 41.5 1.0
N B:ILE109 4.1 16.8 1.0
N B:SER110 4.1 15.8 1.0
CB B:SER72 4.2 15.9 1.0
C B:ILE109 4.3 15.8 1.0
CA B:ILE109 4.3 16.0 1.0
CB B:ARG70 4.3 18.5 1.0
O B:VAL71 4.3 14.7 1.0
CA B:GLU108 4.4 17.7 1.0
CD B:ARG70 4.4 20.8 1.0
BR B:BR1151 4.5 22.4 0.2
CA B:SER110 4.7 16.3 1.0
CA B:ARG70 4.7 16.2 1.0
CA B:SER72 4.7 16.1 1.0
CZ B:ARG70 4.7 35.4 1.0
NH2 B:ARG70 4.8 41.4 1.0
O B:ILE109 4.9 15.9 1.0
CD B:GLU108 4.9 31.2 1.0
OE1 B:GLU108 4.9 31.1 1.0
CG B:GLU108 4.9 22.9 1.0
OE2 B:GLU82 4.9 32.6 1.0

Bromine binding site 9 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 9 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1149

b:33.2
occ:0.31
 N B:SER6 3.5 37.2 1.0
N B:ALA7 3.6 32.6 1.0
CG2 B:THR22 3.6 24.6 1.0
CD1 B:TRP30 4.0 27.1 1.0
CG B:MET24 4.0 30.1 1.0
CB B:SER6 4.0 38.1 1.0
CA B:SER6 4.1 37.5 1.0
C B:SER6 4.3 36.0 1.0
O B:THR22 4.4 25.2 1.0
CB B:ALA7 4.4 29.4 1.0
C B:GLN23 4.5 27.2 1.0
SD B:MET24 4.5 38.6 1.0
CA B:GLN23 4.5 27.2 1.0
CB B:THR22 4.6 24.4 1.0
C B:THR22 4.6 25.2 1.0
CA B:ALA7 4.6 29.7 1.0
O B:GLN23 4.6 25.1 1.0
N B:GLN23 4.6 25.7 1.0
NE1 B:TRP30 4.7 26.4 1.0
O B:ALA7 4.8 27.1 1.0
N B:MET24 4.8 27.3 1.0
OG B:SER6 4.9 41.4 1.0
CB B:MET24 5.0 29.0 1.0

Bromine binding site 10 out of 13 in 4b4p

Go back to Bromine Binding Sites List in 4b4p
Bromine binding site 10 out of 13 in the Crystal Structure of the Lectin Domain of F18 Fimbrial Adhesin Fedf.


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 the Lectin Domain of F18 Fimbrial Adhesin Fedf. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1150

b:27.4
occ:0.28
 OG1 B:THR48 3.4 24.6 1.0
CG B:GLN50 3.7 28.2 1.0
O B:SER130 3.7 16.6 1.0
CB B:SER132 3.7 19.9 1.0
O B:THR48 3.8 17.7 1.0
CA B:CYS49 3.8 17.2 1.0
N B:SER132 3.9 16.8 1.0
C B:THR48 3.9 16.7 1.0
N B:GLN50 4.0 19.5 1.0
C B:SER130 4.0 16.9 1.0
C B:PHE131 4.0 17.8 1.0
C B:CYS49 4.0 17.9 1.0
N B:CYS49 4.1 16.5 1.0
CA B:PHE131 4.1 16.6 1.0
N B:PHE131 4.1 16.4 1.0
CD B:GLN50 4.3 30.1 1.0
CB B:THR48 4.4 18.4 1.0
CA B:SER132 4.5 18.7 1.0
CB B:GLN50 4.5 22.3 1.0
CB B:SER130 4.5 18.2 1.0
OE1 B:GLN50 4.6 47.5 1.0
O B:PHE131 4.7 17.3 1.0
OG B:SER132 4.7 29.2 1.0
CA B:THR48 4.8 16.5 1.0
O B:CYS49 4.8 18.6 1.0
CA B:GLN50 4.9 21.8 1.0
CA B:SER130 5.0 17.6 1.0

Reference:

K.Moonens, J.Bouckaert, A.Coddens, T.Tran, S.Panjikar, M.De Kerpel, E.Cox, H.Remaut, H.De Greve. Structural Insight in Histo-Blood Group Binding By the F18 Fimbrial Adhesin Fedf. Mol.Microbiol. V. 86 82 2012.
ISSN: ISSN 0950-382X
PubMed: 22812428
DOI: 10.1111/J.1365-2958.2012.08174.X
Page generated: Wed Jul 10 20:52:04 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy