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Chlorine in PDB 3fn9: Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis

Enzymatic activity of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis

All present enzymatic activity of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis:
3.2.1.23;

Protein crystallography data

The structure of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis, PDB code: 3fn9 was solved by U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo, 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) 49.39 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 109.453, 133.066, 221.192, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 27

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis (pdb code 3fn9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis, PDB code: 3fn9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 3fn9

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Chlorine binding site 1 out of 7 in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:40.0
occ:1.00
 NH1 A:ARG243 3.8 33.0 1.0
NH2 A:ARG243 3.9 31.6 1.0
CZ A:ARG243 4.4 31.4 1.0
OG D:SER244 4.6 32.2 1.0
OG1 D:THR225 4.8 32.8 1.0
CB D:SER244 5.0 31.4 1.0

Chlorine binding site 2 out of 7 in 3fn9

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Chlorine binding site 2 out of 7 in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:50.8
occ:1.00
 N A:THR42 3.6 42.9 1.0
NE A:ARG46 3.9 44.8 1.0
CB A:ALA41 3.9 40.7 1.0
CA A:ALA41 4.0 41.1 1.0
NH1 A:ARG46 4.0 43.3 1.0
N A:ASP43 4.3 44.0 1.0
C A:ALA41 4.3 41.5 1.0
CB A:THR42 4.3 44.7 1.0
CZ A:ARG46 4.4 43.8 1.0
CA A:THR42 4.5 43.4 1.0
OG1 A:THR42 4.5 47.7 1.0
CB A:ASP43 4.8 47.2 1.0
CD A:ARG46 4.9 42.8 1.0
C A:THR42 5.0 44.5 1.0

Chlorine binding site 3 out of 7 in 3fn9

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Chlorine binding site 3 out of 7 in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl807

b:78.4
occ:1.00
 N A:ASP200 3.2 39.0 1.0
N A:VAL201 3.3 39.4 1.0
CA A:ASP200 3.5 40.1 1.0
NZ A:LYS300 3.6 38.1 1.0
CG A:LYS300 3.7 32.4 1.0
CE A:LYS300 3.9 37.2 1.0
C A:ASP200 3.9 40.0 1.0
C A:LYS199 4.1 38.7 1.0
CA A:VAL201 4.4 37.5 1.0
CD A:LYS300 4.4 36.5 1.0
CB A:VAL201 4.4 36.0 1.0
CA A:LYS199 4.5 38.7 1.0
O A:VAL201 4.5 37.2 1.0
CB A:LYS300 4.8 30.8 1.0
CG2 A:VAL201 4.9 35.6 1.0
C A:VAL201 5.0 37.8 1.0
CB A:ASP200 5.0 41.9 1.0
O A:HOH715 5.0 65.0 1.0

Chlorine binding site 4 out of 7 in 3fn9

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Chlorine binding site 4 out of 7 in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl805

b:59.7
occ:1.00
 N C:ASP200 3.5 44.9 1.0
N C:VAL201 3.8 43.1 1.0
CE C:LYS300 3.9 35.7 1.0
CG C:LYS300 3.9 32.7 1.0
CA C:ASP200 4.1 45.3 1.0
CD C:LYS300 4.1 33.5 1.0
C C:LYS199 4.3 43.5 1.0
CA C:LYS199 4.5 42.0 1.0
C C:ASP200 4.5 44.0 1.0
CG2 C:VAL201 4.7 37.5 1.0
CB C:LYS300 4.8 32.5 1.0
NZ C:LYS300 4.8 37.1 1.0
CB C:VAL201 4.9 39.9 1.0
CA C:VAL201 4.9 41.0 1.0

Chlorine binding site 5 out of 7 in 3fn9

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Chlorine binding site 5 out of 7 in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:56.3
occ:1.00
 N D:ASP200 3.4 40.7 1.0
CE D:LYS300 3.5 37.7 1.0
N D:VAL201 3.9 38.8 1.0
CA D:ASP200 3.9 41.2 1.0
NZ D:LYS300 4.1 40.7 1.0
CD D:LYS300 4.2 33.8 1.0
C D:LYS199 4.2 39.1 1.0
CG D:LYS300 4.4 31.7 1.0
CA D:LYS199 4.4 38.0 1.0
C D:ASP200 4.5 40.4 1.0
CB D:LYS300 4.8 30.7 1.0
CG2 D:VAL201 4.8 35.6 1.0
CB D:VAL201 5.0 35.3 1.0

Chlorine binding site 6 out of 7 in 3fn9

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Chlorine binding site 6 out of 7 in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl804

b:74.1
occ:1.00
 OH D:TYR231 3.2 34.9 1.0
CE A:LYS262 3.8 40.5 1.0
CE1 D:TYR231 4.0 35.1 1.0
CZ D:TYR231 4.0 35.7 1.0
NH2 D:ARG281 4.5 44.8 1.0
NZ A:LYS262 4.5 41.7 1.0
NZ D:LYS237 4.7 38.0 1.0
CD A:LYS262 4.9 39.1 1.0

Chlorine binding site 7 out of 7 in 3fn9

Go back to Chlorine Binding Sites List in 3fn9
Chlorine binding site 7 out of 7 in the Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Putative Beta-Galactosidase From Bacteroides Fragilis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl806

b:48.9
occ:1.00
 NH1 D:ARG46 3.1 52.5 1.0
N D:THR42 3.6 45.3 1.0
CB D:ALA41 3.8 43.9 1.0
N D:ASP43 4.0 44.7 1.0
CZ D:ARG46 4.2 50.3 1.0
CA D:ALA41 4.2 43.4 1.0
C D:ALA41 4.3 44.4 1.0
CA D:THR42 4.4 45.0 1.0
CB D:THR42 4.4 45.8 1.0
CB D:ASP43 4.5 46.1 1.0
C D:THR42 4.7 45.5 1.0
CD D:ARG46 4.7 47.2 1.0
NE D:ARG46 4.8 49.2 1.0
OG1 D:THR42 4.9 48.0 1.0
CA D:ASP43 4.9 44.5 1.0
NH2 D:ARG46 4.9 51.0 1.0

Reference:

U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo. Structure of Putative Beta-Galactosidase From Bacteroides Fragilis To Be Published.
Page generated: Sat Jul 20 19:28:29 2024

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