Atomistry » Zinc » PDB 2cim-2ctd » 2cks
Atomistry »
  Zinc »
    PDB 2cim-2ctd »
      2cks »

Zinc in PDB 2cks: X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)

Enzymatic activity of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)

All present enzymatic activity of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5):
3.2.1.4;

Protein crystallography data

The structure of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5), PDB code: 2cks was solved by G.I.Berglund, P.J.Gualfetti, C.Requadt, L.S.Gross, T.Bergfors, A.Shaw, M.Saldajeno, C.Mitchinson, M.Sandgren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.26 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.888, 70.970, 75.624, 90.00, 94.05, 90.00
R / Rfree (%) 14.2 / 16.9

Other elements in 2cks:

The structure of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) also contains other interesting chemical elements:

Sodium (Na) 5 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) (pdb code 2cks). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5), PDB code: 2cks:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Zinc binding site 1 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 1 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1432

b:9.1
occ:1.00
OD1 A:ASP169 1.9 11.1 0.7
OD1 A:ASP173 2.0 8.4 1.0
OD1 A:ASP169 2.0 8.9 0.3
CG A:ASP173 2.8 7.2 1.0
CG A:ASP169 2.8 9.6 0.7
OD2 A:ASP173 2.9 7.9 1.0
OD2 A:ASP169 3.0 13.2 0.7
CG A:ASP169 3.0 8.2 0.3
OD2 A:ASP169 3.2 9.1 0.3
NH2 A:ARG216 3.8 14.4 1.0
O A:HOH2041 4.0 30.7 1.0
O A:HOH2037 4.0 19.1 1.0
O A:ASP169 4.1 8.0 0.3
O A:ASP169 4.2 7.9 0.7
CB A:ASP169 4.2 8.7 0.7
CB A:ASP173 4.2 6.1 1.0
CB A:ASP169 4.4 8.2 0.3
C A:ASP169 4.5 8.0 0.3
C A:ASP169 4.6 8.1 0.7
CZ A:ARG216 4.6 12.9 1.0
NE A:ARG216 4.7 11.2 1.0
CA A:ASP169 4.7 8.4 0.7
CA A:ASP169 4.8 8.1 0.3

Zinc binding site 2 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 2 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1433

b:17.1
occ:0.40
NA A:NA1436 1.4 12.7 0.6
OD1 A:ASP289 2.0 12.6 0.6
O A:HOH2322 2.1 27.9 1.0
O A:HOH2188 2.1 7.7 0.4
OD1 A:ASP287 2.2 14.4 1.0
O A:ALA251 2.4 11.8 1.0
O A:HOH2192 2.5 16.1 0.4
CG A:ASP289 3.0 11.6 0.6
OD2 A:ASP289 3.2 15.0 0.6
CG A:ASP287 3.4 12.6 1.0
O A:HOH2190 3.5 12.9 0.5
C A:ALA251 3.6 11.0 1.0
O A:LYS253 3.8 9.6 1.0
CB A:ASP289 3.9 8.2 0.4
OD2 A:ASP287 4.0 15.6 1.0
O A:HOH2184 4.0 15.4 1.0
OD2 A:ASP289 4.1 10.9 0.4
CA A:ALA251 4.1 10.8 1.0
CG A:ASP289 4.2 10.0 0.4
OG A:SER290 4.4 10.2 0.5
CB A:ASP289 4.4 10.0 0.6
N A:ASP289 4.4 8.6 0.4
O A:HOH2189 4.4 16.9 0.5
N A:ASP289 4.4 9.4 0.6
CA A:ASP287 4.5 9.2 1.0
CB A:ASP287 4.5 9.4 1.0
CB A:ALA251 4.6 10.9 1.0
CA A:ASP289 4.6 8.3 0.4
N A:SER252 4.7 11.3 1.0
C A:ASP287 4.7 9.2 1.0
C A:ASP289 4.7 9.4 0.6
CA A:ASP289 4.7 9.8 0.6
O A:HOH2147 4.8 43.3 1.0
N A:SER290 4.8 7.8 0.5
N A:PRO288 4.9 9.0 1.0
CA A:SER252 5.0 11.6 1.0
N A:SER290 5.0 8.9 0.5
C A:LYS253 5.0 9.2 1.0
CD A:PRO288 5.0 9.6 1.0
O A:ASP289 5.0 10.3 0.6

Zinc binding site 3 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 3 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1434

b:17.4
occ:0.40
O A:HOH2323 1.9 14.4 0.5
O A:HOH2324 2.0 23.1 1.0
OD1 A:ASP193 2.3 19.9 1.0
CG A:ASP193 3.5 13.8 1.0
O A:HOH2068 4.1 37.5 1.0
NE1 A:TRP162 4.1 10.6 1.0
OD2 A:ASP193 4.2 19.8 1.0
CB A:ASP193 4.4 10.6 1.0
CD1 A:TRP162 4.9 9.9 1.0

Zinc binding site 4 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 4 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1435

b:19.1
occ:0.40
O A:HOH2325 1.7 18.6 0.5
OE1 A:GLU355 2.0 13.5 1.0
OE1 A:GLU263 2.1 9.1 0.3
OE2 A:GLU263 2.4 8.0 0.3
CD A:GLU263 2.6 6.8 0.3
O A:HOH2326 2.7 27.7 1.0
OE2 A:GLU263 2.8 12.6 0.7
CD A:GLU355 2.8 10.3 1.0
OE2 A:GLU355 3.1 8.5 1.0
CD A:GLU263 3.1 10.7 0.7
OE1 A:GLU263 3.2 13.0 0.7
NA A:NA1437 3.2 41.1 1.0
OH A:TYR330 4.0 18.4 1.0
CG A:GLU263 4.1 6.7 0.3
CG A:GLU263 4.2 8.1 0.7
CG A:GLU355 4.2 8.2 1.0
O A:HOH2226 4.3 28.7 1.0
ND2 A:ASN262 4.4 7.1 1.0
ND1 A:HIS328 4.4 6.5 1.0
O A:HOH2159 4.5 27.3 1.0
NE2 A:HIS225 4.5 6.8 1.0
CE1 A:HIS225 4.5 6.6 1.0
OD1 A:ASN262 4.6 7.8 1.0
CE1 A:HIS328 4.9 6.6 1.0
CZ A:TYR330 5.0 16.3 1.0
CE2 A:TYR330 5.0 14.8 1.0
CG A:ASN262 5.0 7.0 1.0

Zinc binding site 5 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 5 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1432

b:8.3
occ:1.00
OD2 B:ASP169 1.8 9.2 0.7
OD1 B:ASP173 1.9 8.1 1.0
OD1 B:ASP169 2.1 8.5 0.3
CG B:ASP169 2.8 9.6 0.7
CG B:ASP173 2.8 7.3 1.0
OD2 B:ASP173 2.8 8.2 1.0
OD1 B:ASP169 3.0 12.2 0.7
CG B:ASP169 3.0 8.4 0.3
OD2 B:ASP169 3.3 8.3 0.3
NH2 B:ARG216 3.9 14.2 1.0
O B:HOH2036 3.9 20.1 1.0
O B:ASP169 4.1 8.0 0.3
CB B:ASP173 4.2 6.0 1.0
CB B:ASP169 4.2 8.9 0.7
O B:ASP169 4.3 7.8 0.7
CB B:ASP169 4.4 8.3 0.3
C B:ASP169 4.6 8.2 0.3
C B:ASP169 4.6 8.3 0.7
CZ B:ARG216 4.6 12.7 1.0
NE B:ARG216 4.7 11.7 1.0
CA B:ASP169 4.8 8.4 0.7
CA B:ASP169 4.8 8.2 0.3

Zinc binding site 6 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 6 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1433

b:18.3
occ:1.00
NE2 B:HIS146 1.9 13.7 1.0
OE2 B:GLU145 2.0 16.0 1.0
CE1 B:HIS146 2.8 14.3 1.0
CD2 B:HIS146 2.9 14.0 1.0
CD B:GLU145 3.0 14.9 1.0
CG B:GLU145 3.4 13.1 1.0
ND1 B:HIS146 4.0 13.4 1.0
CG B:HIS146 4.0 13.0 1.0
OE1 B:GLU145 4.2 14.9 1.0
O B:HOH2018 4.3 33.4 1.0
CB B:GLU145 4.8 12.3 1.0
O B:HOH2017 5.0 19.4 1.0

Zinc binding site 7 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 7 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1434

b:25.4
occ:0.40
NA B:NA1437 1.2 5.2 0.3
NA B:NA1437 1.2 3.7 0.3
OD1 B:ASP289 1.9 15.4 0.7
OD1 B:ASP287 2.1 15.2 1.0
O B:HOH2313 2.3 19.6 0.7
O B:HOH2312 2.5 26.1 1.0
O B:ALA251 2.8 11.2 1.0
CG B:ASP289 3.0 12.5 0.7
CG B:ASP287 3.2 13.6 1.0
OD2 B:ASP289 3.4 15.7 0.7
O B:LYS253 3.5 10.3 1.0
OD2 B:ASP287 3.6 16.7 1.0
O B:HOH2187 3.6 19.2 1.0
C B:ALA251 3.9 10.5 1.0
CB B:ASP289 4.1 9.2 0.3
CB B:ASP289 4.3 10.9 0.7
O B:HOH2155 4.3 9.0 1.0
N B:SER290 4.4 8.2 0.2
CB B:SER290 4.4 7.9 0.2
N B:SER290 4.4 9.9 0.8
N B:ASP289 4.4 9.9 0.7
C B:ASP289 4.4 10.2 0.7
CB B:ASP287 4.4 10.4 1.0
CA B:ALA251 4.5 10.0 1.0
N B:ASP289 4.5 9.2 0.3
CG B:ASP289 4.5 9.7 0.3
OD2 B:ASP289 4.5 10.1 0.3
CA B:ASP289 4.6 10.4 0.7
CA B:ASP287 4.6 9.9 1.0
C B:LYS253 4.7 9.6 1.0
CA B:ASP289 4.7 9.0 0.3
C B:ASP287 4.8 9.9 1.0
CA B:SER290 4.8 8.0 0.2
C B:ASP289 4.8 8.7 0.3
O B:ASP289 4.9 11.2 0.7
O B:HOH2147 4.9 34.5 1.0

Zinc binding site 8 out of 8 in 2cks

Go back to Zinc Binding Sites List in 2cks
Zinc binding site 8 out of 8 in the X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of X-Ray Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A (E5) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1435

b:14.9
occ:0.30
O B:HOH2314 1.7 16.9 0.5
OE1 B:GLU355 1.9 16.0 1.0
OE2 B:GLU263 2.1 9.5 0.3
OE1 B:GLU263 2.6 9.2 0.3
CD B:GLU263 2.7 7.9 0.3
CD B:GLU355 2.8 10.6 1.0
OE1 B:GLU263 2.8 12.3 0.7
O B:HOH2103 2.9 24.5 1.0
OE2 B:GLU355 3.1 9.2 1.0
CD B:GLU263 3.1 11.8 0.7
OE2 B:GLU263 3.2 11.9 0.7
OH B:TYR330 4.0 19.0 1.0
CG B:GLU355 4.2 8.9 1.0
CG B:GLU263 4.2 7.4 0.3
CG B:GLU263 4.2 8.9 0.7
NE2 B:HIS225 4.4 7.3 0.5
ND1 B:HIS328 4.5 7.3 1.0
ND2 B:ASN262 4.5 8.1 1.0
CE1 B:HIS225 4.5 4.2 0.5
NE2 B:HIS225 4.6 4.4 0.5
O B:HOH2226 4.6 28.6 1.0
O B:HOH2161 4.7 30.0 1.0
CE1 B:HIS225 4.7 6.3 0.5
OD1 B:ASN262 4.7 8.4 1.0
CZ B:TYR330 4.9 15.6 1.0
CE2 B:TYR330 4.9 14.6 1.0
CE1 B:HIS328 4.9 7.5 1.0
CB B:GLU355 5.0 6.8 1.0

Reference:

G.I.Berglund, P.J.Gualfetti, C.Requadt, L.S.Gross, T.Bergfors, A.Shaw, M.Saldajeno, C.Mitchinson, M.Sandgren. The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase CEL5A in Complex with Cellotetraose To Be Published.
Page generated: Wed Aug 20 01:44:49 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy