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Mercury 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:

Chlorine (Cl) 7 atoms

Mercury Binding Sites:

The binding sites of Mercury 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 Mercury atom.
In total 6 binding sites of Mercury where determined in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution, PDB code: 1is9:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in 1is9

Go back to Mercury Binding Sites List in 1is9
Mercury binding site 1 out of 6 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg1001

b:6.0
occ:1.00
 SG A:CYS270 2.3 4.9 1.0
CL A:CL1007 2.3 6.1 1.0
OG1 A:THR254 2.6 5.5 1.0
O A:HOH1194 3.0 8.3 1.0
O A:ALA266 3.2 3.9 1.0
CB A:CYS270 3.3 4.5 1.0
CB A:THR254 3.4 5.5 1.0
N A:CYS270 3.4 4.2 1.0
CA A:CYS270 3.7 4.4 1.0
CB A:ASN269 3.9 5.5 1.0
OH A:TYR250 3.9 7.3 1.0
C A:THR254 3.9 5.2 1.0
C A:ALA266 4.0 3.8 1.0
O A:THR254 4.0 7.4 1.0
CA A:ALA266 4.1 4.2 1.0
CZ A:TYR250 4.1 5.6 1.0
C A:ASN269 4.1 4.7 1.0
N A:ALA255 4.2 4.3 1.0
CA A:THR254 4.3 5.2 1.0
CB A:ALA266 4.5 4.5 1.0
CE2 A:TYR250 4.5 5.9 1.0
CE1 A:TYR250 4.6 5.7 1.0
CA A:ASN269 4.6 4.7 1.0
CG2 A:THR254 4.6 5.8 1.0
CA A:ALA255 4.7 4.5 1.0
O A:ASN269 4.9 5.0 1.0

Mercury binding site 2 out of 6 in 1is9

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Mercury binding site 2 out of 6 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg1002

b:6.1
occ:1.00
 SG A:CYS229 2.3 4.7 1.0
CL A:CL1012 2.3 5.2 0.8
O A:THR230 2.6 6.0 1.0
O A:CYS229 2.9 4.5 1.0
C A:CYS229 3.2 4.3 1.0
CB A:CYS229 3.3 4.8 1.0
C A:THR230 3.4 6.0 1.0
CG2 A:ILE211 3.6 6.4 1.0
CA A:CYS229 3.7 4.5 1.0
N A:THR230 3.8 4.9 1.0
N A:CYS229 4.1 3.9 1.0
CA A:THR230 4.1 5.3 1.0
CG2 A:THR179 4.2 6.3 1.0
N A:ALA231 4.2 6.5 1.0
CA A:ALA231 4.4 7.4 1.0
O A:THR179 4.5 4.4 1.0
CG A:PRO181 4.5 4.5 1.0
CZ A:PHE184 4.6 5.8 1.0
CD A:PRO181 4.7 3.9 1.0
N A:GLY233 4.8 6.3 1.0
CA A:GLY233 4.8 6.3 1.0
C A:THR179 4.8 4.0 1.0
CB A:ILE211 4.9 6.2 1.0
CD1 A:ILE211 4.9 9.0 1.0
CG1 A:ILE211 5.0 7.5 1.0
N A:THR179 5.0 4.9 1.0

Mercury binding site 3 out of 6 in 1is9

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Mercury binding site 3 out of 6 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg1003

b:7.1
occ:1.00
 SG A:CYS208 2.3 4.6 1.0
CL A:CL1013 2.3 6.0 0.8
CL A:CL1011 2.6 9.1 0.5
CA A:CYS208 3.2 4.6 1.0
CB A:CYS208 3.3 4.9 1.0
CE1 A:PHE184 3.3 5.9 1.0
CD1 A:PHE184 3.5 5.3 1.0
N A:CYS208 3.5 3.7 1.0
CZ A:PHE184 3.5 5.8 1.0
CG A:PHE184 3.8 4.7 1.0
CE2 A:PHE184 3.9 5.8 1.0
CB A:LEU167 3.9 6.0 1.0
CD2 A:PHE184 4.0 5.0 1.0
C A:LYS207 4.1 4.1 1.0
N A:LEU167 4.2 5.2 1.0
O A:VAL204 4.3 4.8 1.0
O A:LYS207 4.5 4.1 1.0
C A:CYS208 4.6 3.8 1.0
CB A:PHE184 4.7 4.4 1.0
CG A:LYS207 4.7 6.1 1.0
CA A:LEU167 4.7 5.4 1.0
CG1 A:ILE211 4.8 7.5 1.0
CB A:LYS207 4.8 5.2 1.0

Mercury binding site 4 out of 6 in 1is9

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Mercury binding site 4 out of 6 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg1004

b:8.7
occ:0.60
 SG A:CYS74 1.5 6.5 0.5
SG A:CYS74 2.2 5.7 0.5
HG A:HG1005 2.2 8.9 0.4
CL A:CL1009 2.3 8.7 0.5
O A:LEU70 3.0 6.0 1.0
CB A:CYS74 3.1 6.7 1.0
CD1 A:PHE356 3.4 9.8 1.0
CD1 A:LEU350 3.5 8.9 1.0
CE1 A:PHE356 3.7 10.6 1.0
C A:LEU70 3.8 4.7 1.0
CL A:CL1010 4.0 9.4 0.5
O A:HOH1742 4.3 27.6 1.0
CB A:LEU70 4.3 5.0 1.0
CA A:CYS74 4.4 6.7 1.0
CG A:PHE356 4.4 6.5 1.0
CA A:LEU70 4.5 4.9 1.0
N A:CYS74 4.6 6.1 1.0
N A:LEU71 4.6 4.5 1.0
O A:ASN355 4.7 5.5 1.0
CG A:LEU350 4.7 7.2 1.0
CA A:LEU71 4.8 5.1 1.0
CB A:LEU350 4.8 5.6 1.0
CZ A:PHE356 4.8 10.4 1.0
CB A:PHE356 4.9 5.5 1.0

Mercury binding site 5 out of 6 in 1is9

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Mercury binding site 5 out of 6 in the Endoglucanase A From Clostridium Thermocellum at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg1005

b:8.9
occ:0.40
 SG A:CYS74 1.8 6.5 0.5
SG A:CYS74 2.1 5.7 0.5
HG A:HG1004 2.2 8.7 0.6
CL A:CL1010 2.3 9.4 0.5
O A:LEU70 2.9 6.0 1.0
O A:HOH1742 3.4 27.6 1.0
CB A:CYS74 3.4 6.7 1.0
CG1 A:VAL73 3.5 6.6 1.0
N A:CYS74 3.8 6.1 1.0
CD1 A:PHE131 3.8 8.1 1.0
C A:LEU70 3.8 4.7 1.0
CG A:PHE131 3.9 7.5 1.0
CE1 A:PHE131 3.9 8.3 1.0
CD2 A:PHE131 3.9 8.4 1.0
CE1 A:PHE356 4.0 10.6 1.0
CZ A:PHE131 4.0 9.0 1.0
CA A:CYS74 4.0 6.7 1.0
CE2 A:PHE131 4.0 8.4 1.0
CD1 A:PHE356 4.1 9.8 1.0
CL A:CL1009 4.1 8.7 0.5
CA A:LEU70 4.2 4.9 1.0
O A:HOH1722 4.4 39.1 1.0
CD2 A:LEU70 4.4 7.7 1.0
CB A:LEU70 4.5 5.0 1.0
CB A:PHE131 4.6 6.7 1.0
C A:VAL73 4.7 5.7 1.0
CB A:VAL73 4.8 6.5 1.0

Mercury binding site 6 out of 6 in 1is9

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


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg1006

b:9.6
occ:0.75
 SG A:CYS159 2.1 12.6 1.0
CL A:CL1014 2.3 9.5 0.5
O A:HOH1738 2.4 9.8 1.0
O A:HOH1424 2.5 6.8 1.0
OG1 A:THR119 2.7 6.0 1.0
CB A:CYS159 3.2 9.2 1.0
N A:ASP171 3.7 6.8 1.0
CB A:THR119 3.7 5.3 1.0
CA A:THR119 3.8 4.5 1.0
CD1 A:LEU97 3.8 8.4 1.0
C A:GLY170 3.8 6.7 1.0
CA A:ASP171 4.0 6.9 1.0
N A:THR119 4.1 4.4 1.0
CB A:ASP171 4.1 7.0 1.0
CG2 A:THR119 4.2 6.2 1.0
O A:GLY170 4.3 7.4 1.0
CA A:CYS159 4.3 7.5 1.0
CA A:GLY170 4.3 7.7 1.0
CD2 A:LEU155 4.5 9.4 1.0
C A:ALA118 4.7 4.7 1.0
CD2 A:LEU97 4.7 7.7 1.0
CB A:ALA117 4.8 6.6 1.0
CG A:LEU97 4.8 7.0 1.0
N A:CYS159 4.8 7.3 1.0
N A:GLY170 4.8 6.4 1.0
O A:LYS168 4.8 5.9 1.0
CG A:ASP171 5.0 6.7 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: Sun Aug 11 00:17:41 2024

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