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Chlorine in PDB 1is9: Endoglucanase A From Clostridium Thermocellum at Atomic Resolution

Enzymatic activity of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution

All present enzymatic activity of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution:
3.2.1.4;

Protein crystallography data

The structure of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution, PDB code: 1is9 was solved by A.Schmidt, A.Gonzalez, R.J.Morris, M.Costabel, P.M.Alzari, V.S.Lamzin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.03
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.441, 62.829, 103.891, 90.00, 90.00, 90.00
R / Rfree (%) 13.1 / 14.9

Other elements in 1is9:

The structure of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution also contains other interesting chemical elements:

Mercury (Hg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution (pdb code 1is9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution, PDB code: 1is9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 1is9

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Chlorine binding site 1 out of 7 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1007

b:6.1
occ:1.00
 HG A:HG1001 2.3 6.0 1.0
OG1 A:THR254 3.4 5.5 1.0
CB A:THR254 3.4 5.5 1.0
ND2 A:ASN269 3.5 7.5 1.0
CB A:ASN269 3.5 5.5 1.0
OH A:TYR250 3.5 7.3 1.0
CA A:ALA266 3.7 4.2 1.0
CE1 A:TYR209 3.7 4.7 1.0
O A:ALA266 4.0 3.9 1.0
CG A:ASN269 4.0 6.4 1.0
CZ A:TYR250 4.0 5.6 1.0
CE1 A:TYR250 4.1 5.7 1.0
CG2 A:THR254 4.1 5.8 1.0
O A:HOH1117 4.3 6.1 1.0
CB A:ALA266 4.3 4.5 1.0
C A:ALA266 4.3 3.8 1.0
CD1 A:TYR209 4.3 4.5 1.0
O A:ARG265 4.4 4.7 1.0
N A:ALA266 4.5 4.3 1.0
O A:THR254 4.5 7.4 1.0
O A:HOH1194 4.6 8.3 1.0
CA A:THR254 4.6 5.2 1.0
SG A:CYS270 4.6 4.9 1.0
CZ A:TYR209 4.7 4.5 1.0
C A:THR254 4.7 5.2 1.0
OH A:TYR209 4.7 5.3 1.0
CA A:ASN269 4.8 4.7 1.0
N A:CYS270 4.8 4.2 1.0
C A:ARG265 4.8 4.4 1.0

Chlorine binding site 2 out of 7 in 1is9

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Chlorine binding site 2 out of 7 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:8.7
occ:0.50
 HG A:HG1004 2.3 8.7 0.6
CD2 A:LEU347 3.3 7.3 1.0
O A:HOH1025 3.4 7.4 1.0
CD1 A:LEU350 3.7 8.9 1.0
CE1 A:PHE356 3.7 10.6 1.0
CD1 A:PHE356 3.7 9.8 1.0
SG A:CYS74 3.7 6.5 0.5
CB A:LEU70 3.8 5.0 1.0
O A:LEU70 4.1 6.0 1.0
HG A:HG1005 4.1 8.9 0.4
C A:LEU70 4.3 4.7 1.0
CZ A:PHE356 4.3 10.4 1.0
CG A:PHE356 4.3 6.5 1.0
CD1 A:LEU70 4.5 8.0 1.0
SG A:CYS74 4.5 5.7 0.5
CG A:LEU70 4.6 6.7 1.0
CA A:LEU70 4.6 4.9 1.0
CB A:LEU350 4.6 5.6 1.0
O A:LEU347 4.6 4.0 1.0
CG A:LEU347 4.6 5.8 1.0
CA A:LEU347 4.7 3.7 1.0
N A:LEU71 4.7 4.5 1.0
CB A:LEU347 4.7 4.4 1.0
CD2 A:LEU70 4.7 7.7 1.0
CG A:LEU350 4.8 7.2 1.0
CD2 A:LEU71 4.8 6.1 1.0
CE2 A:PHE356 4.8 8.4 1.0
CD2 A:PHE356 4.8 7.1 1.0

Chlorine binding site 3 out of 7 in 1is9

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Chlorine binding site 3 out of 7 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1010

b:9.4
occ:0.45
 HG A:HG1005 2.3 8.9 0.4
CD2 A:PHE131 2.7 8.4 1.0
CD2 A:LEU70 2.8 7.7 1.0
CE2 A:PHE131 3.1 8.4 1.0
CG A:PHE131 3.2 7.5 1.0
CG1 A:VAL73 3.5 6.6 1.0
CB A:PHE131 3.7 6.7 1.0
CA A:LEU70 3.7 4.9 1.0
CA A:ALA128 3.8 4.5 1.0
CZ A:PHE131 3.9 9.0 1.0
O A:LEU70 3.9 6.0 1.0
CD1 A:PHE131 3.9 8.1 1.0
CG A:LEU70 4.0 6.7 1.0
HG A:HG1004 4.0 8.7 0.6
CB A:LEU70 4.0 5.0 1.0
SG A:CYS74 4.1 6.5 0.5
CE1 A:PHE356 4.1 10.6 1.0
CE1 A:PHE131 4.2 8.3 1.0
CB A:ALA128 4.3 4.8 1.0
C A:LEU70 4.3 4.7 1.0
N A:ALA128 4.3 4.4 1.0
SG A:CYS74 4.4 5.7 0.5
O A:LEU127 4.4 4.6 1.0
C A:LEU127 4.5 4.2 1.0
CG A:LEU127 4.7 5.3 1.0
O A:HOH1722 4.7 39.1 1.0
O A:ALA128 4.8 4.9 1.0
C A:ALA128 4.8 4.6 1.0
CD1 A:PHE356 4.9 9.8 1.0
N A:LEU70 4.9 4.3 1.0
CD2 A:LEU127 4.9 5.8 1.0
CZ A:PHE356 4.9 10.4 1.0
CB A:VAL73 5.0 6.5 1.0
O A:LEU69 5.0 4.8 1.0

Chlorine binding site 4 out of 7 in 1is9

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Chlorine binding site 4 out of 7 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1011

b:9.1
occ:0.50
 HG A:HG1003 2.6 7.1 1.0
O A:TYR165 2.8 5.4 1.0
O A:VAL204 2.9 4.8 1.0
CG1 A:VAL204 3.3 5.8 1.0
N A:LEU167 3.4 5.2 1.0
SG A:CYS208 3.4 4.6 1.0
CL A:CL1013 3.5 6.0 0.8
CB A:LYS207 3.6 5.2 1.0
C A:VAL204 3.7 4.5 1.0
CA A:VAL204 3.8 4.9 1.0
CG A:LYS207 3.8 6.1 1.0
C A:TYR165 3.8 4.6 1.0
CB A:LEU167 3.9 6.0 1.0
N A:CYS208 3.9 3.7 1.0
C A:VAL166 3.9 5.1 1.0
CA A:VAL166 3.9 5.1 1.0
CA A:LEU167 4.1 5.4 1.0
CB A:VAL204 4.2 5.2 1.0
N A:VAL166 4.3 5.0 1.0
C A:LYS207 4.4 4.1 1.0
CA A:LYS207 4.5 4.9 1.0
CA A:CYS208 4.6 4.6 1.0
CB A:CYS208 4.6 4.9 1.0
O A:VAL166 4.9 6.0 1.0
N A:ALA205 4.9 4.6 1.0
N A:LYS207 5.0 4.4 1.0
CG2 A:VAL204 5.0 5.9 1.0

Chlorine binding site 5 out of 7 in 1is9

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Chlorine binding site 5 out of 7 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1012

b:5.2
occ:0.75
 HG A:HG1002 2.3 6.1 1.0
CG2 A:THR179 3.3 6.3 1.0
O A:THR230 3.4 6.0 1.0
CA A:ALA231 3.5 7.4 1.0
CD1 A:ILE211 3.6 9.0 1.0
C A:THR230 3.6 6.0 1.0
N A:ALA231 3.7 6.5 1.0
CG2 A:ILE211 3.7 6.4 1.0
CG1 A:ILE211 3.7 7.5 1.0
CL A:CL1013 3.9 6.0 0.8
O A:CYS229 4.0 4.5 1.0
CZ A:PHE184 4.2 5.8 1.0
CB A:ALA231 4.2 8.5 1.0
CB A:ILE211 4.3 6.2 1.0
C A:ALA231 4.5 8.4 1.0
SG A:CYS229 4.6 4.7 1.0
CG1 A:VAL166 4.6 7.3 1.0
CB A:THR179 4.7 5.3 1.0
C A:CYS229 4.7 4.3 1.0
CA A:THR230 4.7 5.3 1.0
O A:ALA231 4.9 10.6 1.0
CE1 A:PHE184 5.0 5.9 1.0

Chlorine binding site 6 out of 7 in 1is9

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Chlorine binding site 6 out of 7 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1013

b:6.0
occ:0.80
 HG A:HG1003 2.3 7.1 1.0
N A:LEU167 3.3 5.2 1.0
CZ A:PHE184 3.5 5.8 1.0
CL A:CL1011 3.5 9.1 0.5
CE1 A:PHE184 3.6 5.9 1.0
CG1 A:VAL166 3.7 7.3 1.0
CA A:VAL166 3.8 5.1 1.0
CG1 A:ILE211 3.8 7.5 1.0
CL A:CL1012 3.9 5.2 0.8
C A:VAL166 4.1 5.1 1.0
CB A:VAL166 4.1 6.2 1.0
CB A:LEU167 4.1 6.0 1.0
CG2 A:THR179 4.2 6.3 1.0
CG A:LYS207 4.2 6.1 1.0
CA A:LEU167 4.3 5.4 1.0
CE2 A:PHE184 4.3 5.8 1.0
CG2 A:VAL166 4.3 7.5 1.0
O A:LEU167 4.4 6.9 1.0
CD1 A:PHE184 4.5 5.3 1.0
SG A:CYS208 4.6 4.6 1.0
CD1 A:ILE211 4.6 9.0 1.0
CA A:CYS208 4.8 4.6 1.0
CB A:ILE211 4.8 6.2 1.0
C A:LEU167 4.8 5.1 1.0
N A:CYS208 4.9 3.7 1.0
O A:LYS207 4.9 4.1 1.0
C A:LYS207 4.9 4.1 1.0

Chlorine binding site 7 out of 7 in 1is9

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Chlorine binding site 7 out of 7 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Endoglucanase A From Clostridium Thermocellum at Atomic Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1014

b:9.5
occ:0.50
 HG A:HG1006 2.3 9.6 0.8
O A:HOH1424 2.7 6.8 1.0
O A:ALA117 2.8 9.4 1.0
C A:ALA117 2.9 6.8 1.0
CA A:GLY170 3.1 7.7 1.0
N A:ASP171 3.1 6.8 1.0
N A:ALA118 3.2 5.7 1.0
N A:THR119 3.2 4.4 1.0
OG1 A:THR119 3.3 6.0 1.0
C A:GLY170 3.3 6.7 1.0
C A:ALA118 3.4 4.7 1.0
CB A:ALA117 3.4 6.6 1.0
O A:HOH1738 3.4 9.8 1.0
CA A:ALA118 3.4 5.7 1.0
CA A:ALA117 3.6 5.6 1.0
O A:PRO169 3.7 6.3 1.0
CA A:THR119 3.8 4.5 1.0
N A:GLY170 4.0 6.4 1.0
OD1 A:ASP171 4.0 7.8 1.0
CA A:ASP171 4.1 6.9 1.0
C A:PRO169 4.2 5.5 1.0
O A:ALA118 4.2 5.4 1.0
CB A:THR119 4.2 5.3 1.0
CB A:ASP171 4.2 7.0 1.0
N A:ALA117 4.3 5.7 1.0
O A:GLY170 4.3 7.4 1.0
SG A:CYS159 4.4 12.6 1.0
CG A:ASP171 4.5 6.7 1.0
CD1 A:LEU97 4.9 8.4 1.0
O A:HOH1248 4.9 15.8 1.0
CB A:ALA118 4.9 6.7 1.0
OD2 A:ASP122 5.0 8.8 1.0

Reference:

A.Schmidt, A.Gonzalez, R.J.Morris, M.Costabel, P.M.Alzari, V.S.Lamzin. Advantages of High-Resolution Phasing: Mad to Atomic Resolution. Acta Crystallogr.,Sect.D V. 58 1433 2002.
ISSN: ISSN 0907-4449
PubMed: 12198299
DOI: 10.1107/S0907444902011368
Page generated: Sat Dec 12 08:38:12 2020

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