Chlorine in PDB 5a95: Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2

Enzymatic activity of Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2

All present enzymatic activity of Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2:
3.2.1.73;

Protein crystallography data

The structure of Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2, PDB code: 5a95 was solved by G.Sulzenbacher, M.Lafond, T.Freyd, B.Henrissat, R.M.Coutinho, J.G.Berrin, M.L.Garron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.44 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.048, 60.384, 130.326, 90.00, 104.75, 90.00
R / Rfree (%) 12.9 / 15.6

Other elements in 5a95:

The structure of Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 (pdb code 5a95). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2, PDB code: 5a95:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 5a95

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Chlorine binding site 1 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


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 Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:7.4
occ:1.00
 O A:HOH702 3.1 10.9 1.0
O A:HOH915 3.2 11.3 1.0
NE A:ARG200 3.2 8.8 1.0
N A:ASN231 3.2 5.6 1.0
N A:THR192 3.3 5.9 1.0
CA A:THR191 3.6 6.3 1.0
OG1 A:THR191 3.6 6.6 1.0
CB A:PHE230 3.8 6.3 1.0
CA A:ASN231 3.8 6.0 1.0
OG1 A:THR192 3.9 6.2 1.0
CD A:ARG200 3.9 9.4 1.0
C A:THR191 4.0 5.8 1.0
NH2 A:ARG200 4.0 11.8 1.0
CZ A:ARG200 4.0 9.1 1.0
CB A:THR191 4.1 6.8 1.0
C A:PHE230 4.3 5.7 1.0
CA A:PHE230 4.4 5.5 1.0
CA A:THR192 4.4 6.3 1.0
CG A:PHE230 4.5 6.0 1.0
O A:PRO190 4.6 5.5 1.0
CB A:THR192 4.6 6.1 1.0
N A:THR191 4.6 5.6 1.0
N A:MET193 4.7 6.5 1.0
CB A:ASN231 4.7 7.4 1.0
CB A:ARG200 4.8 8.6 1.0
CG2 A:THR192 4.9 7.0 1.0
N A:TRP232 4.9 5.6 1.0
C A:THR192 5.0 6.3 1.0
C A:ASN231 5.0 5.5 1.0
O A:HOH952 5.0 14.4 1.0
CG A:ARG200 5.0 9.5 1.0
CD1 A:PHE230 5.0 8.2 1.0
C A:PRO190 5.0 5.5 1.0

Chlorine binding site 2 out of 12 in 5a95

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Chlorine binding site 2 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


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 Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:13.5
occ:1.00
 NZ A:LYS221 3.2 13.5 1.0
N A:GLU247 3.3 8.9 1.0
CB A:GLU247 3.7 11.7 1.0
CE A:LYS221 3.9 14.5 1.0
CA A:GLU247 4.0 9.4 1.0
CE2 A:TYR217 4.0 6.5 1.0
O A:GLU247 4.0 8.0 1.0
CG A:GLU247 4.1 13.4 1.0
CA A:ARG246 4.2 9.3 1.0
C A:ARG246 4.2 8.9 1.0
CD2 A:TYR217 4.3 6.6 1.0
CB A:ARG246 4.3 9.2 1.0
C A:GLU247 4.4 7.9 1.0
CD A:ARG246 4.7 8.8 1.0

Chlorine binding site 3 out of 12 in 5a95

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Chlorine binding site 3 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


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 Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:17.5
occ:1.00
 O A:HOH883 3.0 31.9 1.0
N A:TRP202 3.2 6.4 1.0
O A:HOH995 3.3 19.0 1.0
CB A:TRP202 3.9 7.2 1.0
CA A:ASN201 3.9 6.3 1.0
O A:HOH550 4.0 9.4 1.0
C A:ASN201 4.0 6.2 1.0
CA A:TRP202 4.1 6.2 1.0
ND2 A:ASN201 4.3 8.3 1.0
O A:ARG200 4.4 7.3 1.0
N A:ASN201 4.7 6.3 1.0
O A:HOH976 4.7 12.0 1.0
CG A:ASN201 4.7 7.2 1.0
CB A:ASN201 4.8 6.5 1.0
C A:ARG200 4.9 6.3 1.0

Chlorine binding site 4 out of 12 in 5a95

Go back to Chlorine Binding Sites List in 5a95
Chlorine binding site 4 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


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 Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:47.5
occ:1.00
 N A:ILE304 3.0 13.2 1.0
O A:HOH1056 3.4 39.0 1.0
CA A:HIS303 3.6 14.5 1.0
CG1 A:ILE304 3.7 18.7 1.0
C A:HIS303 3.8 14.2 1.0
CB A:ILE304 3.8 16.3 1.0
CD1 A:ILE304 4.0 22.9 1.0
CA A:ILE304 4.0 11.7 1.0
CB A:HIS303 4.0 14.7 1.0
O A:ILE304 4.6 13.9 1.0
CE A:LYS307 4.6 21.2 1.0
NZ A:LYS307 4.7 26.7 1.0
C A:ILE304 4.8 12.2 1.0
N A:HIS303 4.9 13.8 1.0
O A:HIS303 5.0 15.0 1.0

Chlorine binding site 5 out of 12 in 5a95

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Chlorine binding site 5 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


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 Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:8.2
occ:1.00
 O B:HOH673 3.1 10.3 1.0
NE B:ARG200 3.2 10.2 1.0
N B:ASN231 3.2 6.8 1.0
O B:HOH867 3.2 12.1 1.0
N B:THR192 3.3 6.6 1.0
CA B:THR191 3.6 6.0 1.0
OG1 B:THR191 3.7 6.6 1.0
CB B:PHE230 3.8 7.8 1.0
CA B:ASN231 3.8 7.3 1.0
OG1 B:THR192 3.9 6.7 1.0
C B:THR191 3.9 6.5 1.0
NH2 B:ARG200 3.9 10.8 1.0
CD B:ARG200 4.0 10.2 1.0
CZ B:ARG200 4.0 8.7 1.0
CB B:THR191 4.2 6.7 1.0
C B:PHE230 4.2 6.1 1.0
CA B:PHE230 4.3 6.5 1.0
CA B:THR192 4.4 6.0 1.0
CG B:PHE230 4.5 8.2 1.0
CB B:THR192 4.6 6.2 1.0
O B:PRO190 4.6 6.8 1.0
N B:MET193 4.6 6.2 1.0
N B:THR191 4.6 5.5 1.0
CB B:ASN231 4.7 7.5 1.0
CB B:ARG200 4.8 10.2 1.0
CG2 B:THR192 4.9 7.0 1.0
CD1 B:PHE230 4.9 9.3 1.0
N B:TRP232 4.9 7.0 1.0
C B:ASN231 4.9 6.9 1.0
C B:THR192 5.0 6.2 1.0
CG B:ARG200 5.0 11.2 1.0

Chlorine binding site 6 out of 12 in 5a95

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Chlorine binding site 6 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


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 Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:27.2
occ:1.00
 O B:HOH848 2.9 27.4 1.0
N B:GLU247 3.1 9.7 1.0
CA B:ARG246 3.7 8.9 1.0
CB B:ARG246 3.9 9.2 1.0
CD B:ARG246 3.9 9.2 1.0
C B:ARG246 3.9 9.6 1.0
CB B:GLU247 4.0 11.8 1.0
CA B:GLU247 4.1 9.8 1.0
O B:GLU247 4.1 9.0 1.0
CE2 B:TYR217 4.1 9.2 1.0
CD2 B:TYR217 4.4 9.6 1.0
CG B:GLU247 4.4 17.3 1.0
CG B:ARG246 4.5 9.1 1.0
C B:GLU247 4.5 8.9 1.0

Chlorine binding site 7 out of 12 in 5a95

Go back to Chlorine Binding Sites List in 5a95
Chlorine binding site 7 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


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 Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:38.2
occ:1.00
 O B:HOH998 2.9 38.1 1.0
N B:TYR36 3.0 11.4 1.0
CA B:PRO35 3.5 12.5 1.0
CB B:TYR36 3.7 10.5 1.0
CB B:PRO35 3.7 16.3 1.0
C B:PRO35 3.7 11.2 1.0
CA B:TYR36 3.9 11.0 1.0
CD1 B:TYR36 3.9 11.7 1.0
O C:HOH1062 4.2 36.4 1.0
O B:TYR36 4.3 14.4 1.0
CG B:TYR36 4.3 9.9 1.0
C B:TYR36 4.6 12.3 1.0
N B:PRO35 4.9 12.5 1.0
O B:HOH720 4.9 18.8 1.0
O B:PRO35 4.9 12.8 1.0
O B:ILE34 5.0 13.3 1.0

Chlorine binding site 8 out of 12 in 5a95

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Chlorine binding site 8 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:61.2
occ:1.00
 NH2 B:ARG128 3.1 20.3 1.0
NE B:ARG128 3.2 18.9 1.0
CZ B:ARG128 3.6 18.5 1.0
CG B:GLU125 3.8 13.0 1.0
NE1 B:TRP129 3.9 14.9 1.0
CA B:GLU125 4.2 11.2 1.0
CB B:GLU125 4.2 12.7 1.0
CD B:ARG128 4.3 17.2 1.0
CD1 B:TRP129 4.6 12.9 1.0
CB B:ARG128 4.7 12.7 1.0
CE2 B:TRP129 4.8 13.0 1.0
O B:GLU125 4.8 12.4 1.0
CD B:GLU125 4.9 14.8 1.0
NH1 B:ARG128 4.9 20.4 1.0

Chlorine binding site 9 out of 12 in 5a95

Go back to Chlorine Binding Sites List in 5a95
Chlorine binding site 9 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:9.9
occ:1.00
 O C:HOH690 3.1 12.3 1.0
O C:HOH895 3.2 16.5 1.0
N C:ASN231 3.2 7.5 1.0
NE C:ARG200 3.2 9.1 1.0
N C:THR192 3.4 7.0 1.0
CA C:THR191 3.6 7.0 1.0
CB C:PHE230 3.7 9.5 1.0
OG1 C:THR191 3.8 8.4 1.0
OG1 C:THR192 3.8 8.4 1.0
CA C:ASN231 3.8 8.4 1.0
NH2 C:ARG200 3.8 11.2 1.0
CZ C:ARG200 4.0 10.5 1.0
C C:THR191 4.0 7.1 1.0
CD C:ARG200 4.1 10.0 1.0
CB C:THR191 4.2 8.0 1.0
C C:PHE230 4.2 7.9 1.0
CA C:PHE230 4.4 8.7 1.0
CA C:THR192 4.4 7.1 1.0
CG C:PHE230 4.5 9.9 1.0
CB C:THR192 4.6 8.2 1.0
CB C:ASN231 4.7 9.5 1.0
O C:PRO190 4.7 7.4 1.0
N C:MET193 4.7 8.1 1.0
N C:THR191 4.7 7.2 1.0
CB C:ARG200 4.8 9.2 1.0
CG2 C:THR192 4.8 8.0 1.0
CD1 C:PHE230 4.9 9.8 1.0
C C:THR192 5.0 7.5 1.0
C C:ASN231 5.0 8.1 1.0
N C:TRP232 5.0 7.8 1.0

Chlorine binding site 10 out of 12 in 5a95

Go back to Chlorine Binding Sites List in 5a95
Chlorine binding site 10 out of 12 in the Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Beta-Glucanase SDGLUC5_26A From Saccharophagus Degradans in Complex with Tetrasaccharide A, Form 2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl405

b:19.4
occ:1.00
 N C:GLU247 3.2 10.2 1.0
CA C:ARG246 3.7 11.2 1.0
CD C:ARG246 3.8 11.1 1.0
CB C:ARG246 3.9 10.3 1.0
C C:ARG246 4.0 11.0 1.0
CB C:GLU247 4.1 12.1 1.0
CA C:GLU247 4.2 10.5 1.0
CE2 C:TYR217 4.3 10.2 1.0
O C:HOH881 4.3 32.0 1.0
O C:GLU247 4.3 10.6 1.0
CG C:GLU247 4.4 19.2 1.0
CG C:ARG246 4.5 10.1 1.0
CD2 C:TYR217 4.5 10.3 1.0
OE1 C:GLU247 4.6 35.3 1.0
C C:GLU247 4.7 10.7 1.0
CD C:GLU247 4.8 27.5 1.0
O C:GLU245 4.8 11.3 1.0
N C:ARG246 5.0 10.4 1.0

Reference:

M.Lafond, G.Sulzenbacher, T.Freyd, B.Henrissat, J.G.Berrin, M.L.Garron. The Quaternary Structure of A Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans J.Biol.Chem. V. 291 7183 2016.
ISSN: ISSN 0021-9258
PubMed: 26755730
DOI: 10.1074/JBC.M115.695999
Page generated: Sat Dec 12 11:29:55 2020

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