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Calcium in PDB 2ccl: The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum

Enzymatic activity of The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum

All present enzymatic activity of The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum:
3.2.1.8;

Protein crystallography data

The structure of The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum, PDB code: 2ccl was solved by A.L.Carvalho, F.M.V.Dias, J.A.M.Prates, L.M.A.Ferreira, H.J.Gilbert, G.J.Davies, M.J.Romao, C.M.G.A.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.03
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.550, 92.647, 49.859, 90.00, 93.95, 90.00
R / Rfree (%) 17.8 / 23

Calcium Binding Sites:

The binding sites of Calcium atom in the The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum (pdb code 2ccl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum, PDB code: 2ccl:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 2ccl

Go back to Calcium Binding Sites List in 2ccl
Calcium binding site 1 out of 4 in the The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1060

b:5.4
occ:1.00
 O B:THR8 2.3 7.3 1.0
OD1 B:ASP2 2.3 7.2 1.0
OD1 B:ASP6 2.4 6.2 1.0
OD2 B:ASP13 2.4 5.0 1.0
OD1 B:ASN4 2.5 7.5 1.0
O B:HOH2022 2.5 2.0 1.0
OD1 B:ASP13 2.5 5.5 1.0
CG B:ASP13 2.8 5.6 1.0
CG B:ASP6 3.3 6.9 1.0
CG B:ASN4 3.4 8.0 1.0
CG B:ASP2 3.5 7.5 1.0
C B:THR8 3.5 7.2 1.0
OD2 B:ASP6 3.7 7.1 1.0
ND2 B:ASN4 3.8 8.3 1.0
N B:ASP6 4.1 7.3 1.0
CA B:ASP2 4.1 7.4 1.0
N B:THR8 4.3 7.2 1.0
CB B:ASP2 4.3 7.4 1.0
CB B:ASP13 4.3 5.2 1.0
C B:ASP2 4.4 7.4 1.0
OD2 B:ASP2 4.4 7.7 1.0
N B:ASN4 4.4 7.6 1.0
N B:ILE9 4.4 6.9 1.0
CB B:ASP6 4.5 7.1 1.0
CA B:THR8 4.5 7.6 1.0
CA B:ILE9 4.5 6.4 1.0
N B:GLY5 4.5 7.8 1.0
OD1 B:ASN10 4.5 6.8 1.0
CG2 B:THR8 4.5 8.1 1.0
CB B:ASN4 4.6 7.8 1.0
N B:VAL3 4.7 7.2 1.0
CA B:ASP6 4.7 7.2 1.0
N B:ASN10 4.7 6.1 1.0
O B:ASP2 4.7 7.6 1.0
N B:GLY7 4.8 7.2 1.0
CA B:ASN4 4.8 7.8 1.0
C B:ASN4 4.9 7.9 1.0
C B:ASP6 4.9 7.4 1.0
CG B:ASN10 4.9 6.2 1.0

Calcium binding site 2 out of 4 in 2ccl

Go back to Calcium Binding Sites List in 2ccl
Calcium binding site 2 out of 4 in the The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1061

b:8.0
occ:1.00
 O B:SER42 2.2 12.7 1.0
OD1 B:ASP36 2.3 10.4 1.0
OD1 B:ASP38 2.4 12.0 1.0
OD1 B:ASN40 2.4 13.6 1.0
O B:HOH2071 2.4 5.6 1.0
OD2 B:ASP47 2.4 7.9 1.0
OD1 B:ASP47 2.6 8.0 1.0
CG B:ASP47 2.9 7.9 1.0
CG B:ASN40 3.3 14.3 1.0
CG B:ASP38 3.4 12.6 1.0
C B:SER42 3.4 12.8 1.0
CG B:ASP36 3.4 10.3 1.0
OD2 B:ASP38 3.7 13.0 1.0
ND2 B:ASN40 3.7 14.7 1.0
N B:SER42 4.1 13.4 1.0
OD2 B:ASP36 4.1 10.7 1.0
N B:ASN40 4.2 14.4 1.0
CA B:SER42 4.3 13.2 1.0
CA B:ASP36 4.3 9.9 1.0
OD1 B:ASN44 4.3 10.2 1.0
CB B:ASP47 4.4 7.6 1.0
N B:ILE43 4.4 12.3 1.0
CB B:ASP36 4.4 9.9 1.0
CA B:ILE43 4.5 12.0 1.0
CB B:ASN40 4.5 14.3 1.0
N B:ASP38 4.5 11.9 1.0
N B:LYS39 4.6 13.7 1.0
C B:ASP36 4.6 10.0 1.0
CB B:ASP38 4.7 12.5 1.0
CB B:SER42 4.7 13.2 1.0
N B:VAL37 4.8 10.3 1.0
N B:GLY41 4.8 14.1 1.0
CA B:ASN40 4.8 14.4 1.0
CG B:ASN44 4.8 10.9 1.0
N B:ASN44 4.8 11.4 1.0
CA B:ASP38 4.9 12.6 1.0
C B:ASP38 4.9 13.2 1.0
ND2 B:ASN44 5.0 11.1 1.0

Calcium binding site 3 out of 4 in 2ccl

Go back to Calcium Binding Sites List in 2ccl
Calcium binding site 3 out of 4 in the The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1060

b:8.4
occ:1.00
 O D:SER42 2.3 9.3 1.0
OD1 D:ASP36 2.4 9.9 1.0
O D:HOH2065 2.4 12.3 1.0
OD1 D:ASN40 2.4 11.0 1.0
OD2 D:ASP47 2.4 6.5 1.0
OD1 D:ASP38 2.4 9.6 1.0
OD1 D:ASP47 2.5 6.8 1.0
CG D:ASP47 2.8 6.4 1.0
CG D:ASN40 3.4 11.9 1.0
CG D:ASP38 3.4 9.8 1.0
CG D:ASP36 3.5 9.5 1.0
C D:SER42 3.5 9.4 1.0
OD2 D:ASP38 3.7 9.1 1.0
ND2 D:ASN40 3.9 12.0 1.0
CA D:ASP36 4.1 9.0 1.0
N D:SER42 4.2 10.1 1.0
CB D:ASP36 4.3 9.0 1.0
CB D:ASP47 4.3 5.8 1.0
N D:ASN40 4.3 11.8 1.0
OD2 D:ASP36 4.3 9.6 1.0
OD1 D:ASN44 4.3 7.4 1.0
CA D:SER42 4.4 9.8 1.0
N D:ILE43 4.4 9.2 1.0
N D:ASP38 4.4 10.0 1.0
CA D:ILE43 4.5 8.9 1.0
C D:ASP36 4.5 9.0 1.0
CB D:ASN40 4.5 11.8 1.0
N D:LYS39 4.6 11.2 1.0
N D:VAL37 4.6 9.2 1.0
CB D:ASP38 4.7 10.1 1.0
CB D:SER42 4.8 9.8 1.0
CA D:ASN40 4.8 11.8 1.0
N D:ASN44 4.9 8.4 1.0
CA D:ASP38 4.9 10.4 1.0
N D:GLY41 4.9 11.4 1.0
C D:ASP38 4.9 10.8 1.0
CA D:ASP47 5.0 5.8 1.0
CG D:ASN44 5.0 8.1 1.0
N D:ASP47 5.0 6.0 1.0

Calcium binding site 4 out of 4 in 2ccl

Go back to Calcium Binding Sites List in 2ccl
Calcium binding site 4 out of 4 in the The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The S45A, T46A Mutant of the Type I Cohesin-Dockerin Complex From the Cellulosome of Clostridium Thermocellum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1061

b:6.1
occ:1.00
 OD1 D:ASP2 2.2 7.6 1.0
O D:THR8 2.3 7.9 1.0
OD1 D:ASP6 2.4 9.0 1.0
OD1 D:ASN4 2.4 7.6 1.0
OD1 D:ASP13 2.4 5.5 1.0
OD2 D:ASP13 2.5 5.4 1.0
O D:HOH2023 2.5 6.8 1.0
CG D:ASP13 2.8 5.7 1.0
CG D:ASP6 3.3 8.6 1.0
CG D:ASN4 3.3 7.3 1.0
CG D:ASP2 3.4 7.5 1.0
C D:THR8 3.5 8.0 1.0
OD2 D:ASP6 3.7 8.6 1.0
ND2 D:ASN4 3.8 7.7 1.0
CA D:ASP2 4.1 8.0 1.0
N D:ASP6 4.2 8.4 1.0
CB D:ASP2 4.2 7.9 1.0
N D:THR8 4.2 8.1 1.0
CB D:ASP13 4.3 5.8 1.0
N D:ASN4 4.3 7.8 1.0
OD2 D:ASP2 4.3 7.1 1.0
C D:ASP2 4.4 7.8 1.0
CB D:ASP6 4.4 8.2 1.0
N D:ILE9 4.4 7.7 1.0
CA D:THR8 4.4 8.2 1.0
OD1 D:ASN10 4.5 6.3 1.0
CA D:ILE9 4.5 7.3 1.0
N D:GLY5 4.5 8.3 1.0
CG2 D:THR8 4.5 8.4 1.0
CB D:ASN4 4.5 7.6 1.0
N D:VAL3 4.6 7.6 1.0
CA D:ASP6 4.7 8.4 1.0
N D:ASN10 4.7 7.0 1.0
N D:GLY7 4.7 8.3 1.0
CA D:ASN4 4.7 7.9 1.0
C D:ASN4 4.9 8.1 1.0
O D:ASP2 4.9 7.6 1.0
C D:ASP6 4.9 8.4 1.0
CG D:ASN10 5.0 6.7 1.0

Reference:

A.L.Carvalho, F.M.V.Dias, T.Nagy, J.A.M.Prates, M.R.Proctor, N.Smith, E.A.Bayer, G.J.Davies, L.M.A.Ferreira, M.J.Romao, C.M.G.A.Fontes, H.J.Gilbert. Evidence For A Dual Binding Mode of Dockerin Modules to Cohesins. Proc.Natl.Acad.Sci.Usa V. 104 3089 2007.
ISSN: ISSN 0027-8424
PubMed: 17360613
DOI: 10.1073/PNAS.0611173104
Page generated: Sat Dec 12 03:33:51 2020

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