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Cadmium in PDB 6sgf: Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.

Enzymatic activity of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.

All present enzymatic activity of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.:
3.2.1.8;

Protein crystallography data

The structure of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis., PDB code: 6sgf was solved by M.Ejby, M.Abou Hachem, M.L.Leth, A.Guskov, D.Slotboom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.44 / 1.76
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 141.870, 141.870, 60.600, 90.00, 90.00, 120.00
R / Rfree (%) 17.9 / 22.4

Other elements in 6sgf:

The structure of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. (pdb code 6sgf). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 10 binding sites of Cadmium where determined in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis., PDB code: 6sgf:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 10 in 6sgf

Go back to Cadmium Binding Sites List in 6sgf
Cadmium binding site 1 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd205

b:28.9
occ:1.00
O A:HOH301 1.7 14.6 1.0
OD1 A:ASP51 2.5 22.8 1.0
OD2 A:ASP51 2.6 33.8 1.0
CG A:ASP51 2.9 23.1 1.0
CL A:CL208 3.9 13.2 1.0
O A:HOH370 4.2 36.6 1.0
O A:HOH386 4.3 22.0 1.0
CB A:ASP51 4.5 22.1 1.0
HB3 A:ASP51 4.8 26.5 1.0
H A:ASP51 4.9 21.9 1.0
HB2 A:ASP51 4.9 26.5 1.0
HA A:ASP51 5.0 26.7 1.0

Cadmium binding site 2 out of 10 in 6sgf

Go back to Cadmium Binding Sites List in 6sgf
Cadmium binding site 2 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd206

b:27.1
occ:1.00
OD1 A:ASP87 2.4 25.1 1.0
CG A:ASP87 3.3 29.8 1.0
OD2 A:ASP87 3.6 30.5 1.0
CL A:CL209 4.0 66.2 1.0
HA A:ASP87 4.3 20.4 1.0
HZ1 A:LYS89 4.3 44.5 1.0
CB A:ASP87 4.7 21.0 1.0
HZ2 A:LYS89 4.8 44.5 1.0
NZ A:LYS89 4.9 37.1 1.0
HZ3 A:LYS89 4.9 44.5 1.0
CA A:ASP87 5.0 17.0 1.0

Cadmium binding site 3 out of 10 in 6sgf

Go back to Cadmium Binding Sites List in 6sgf
Cadmium binding site 3 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd207

b:30.0
occ:1.00
OE1 A:GLU137 2.6 33.7 1.0
OE2 A:GLU137 2.6 28.4 1.0
OD1 A:ASP138 2.7 25.3 1.0
CD A:GLU137 2.9 36.1 1.0
H A:ASP138 3.1 39.5 1.0
CG A:ASP138 3.7 49.4 1.0
H A:LYS139 3.8 30.9 1.0
N A:ASP138 4.0 32.9 1.0
HA A:GLU137 4.2 28.9 1.0
O A:HOH403 4.2 36.2 1.0
OD2 A:ASP138 4.3 60.2 1.0
CG A:GLU137 4.4 29.1 1.0
N A:LYS139 4.6 25.7 1.0
CB A:ASP138 4.6 35.2 1.0
HG3 A:GLU137 4.7 34.9 1.0
O A:HOH319 4.7 32.3 1.0
HB3 A:ASP138 4.7 42.2 1.0
HB2 A:LYS139 4.7 41.2 1.0
CA A:ASP138 4.8 36.7 1.0
CA A:GLU137 4.8 24.1 1.0
C A:GLU137 4.8 25.8 1.0
HG2 A:GLU137 4.9 34.9 1.0

Cadmium binding site 4 out of 10 in 6sgf

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Cadmium binding site 4 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd205

b:47.1
occ:1.00
OE1 B:GLU153 2.4 32.9 1.0
OD2 C:ASP101 2.6 37.2 1.0
OE2 B:GLU153 2.6 36.2 1.0
O C:HOH388 2.6 40.4 1.0
OD1 C:ASP101 2.6 37.1 1.0
CD B:GLU153 2.8 33.7 1.0
CG C:ASP101 2.9 39.9 1.0
HZ1 B:LYS30 3.1 60.0 1.0
HZ2 B:LYS30 3.4 60.0 1.0
NZ B:LYS30 3.7 50.0 1.0
HE3 B:LYS30 4.2 52.3 1.0
CG B:GLU153 4.3 28.9 1.0
HZ3 B:LYS30 4.4 60.0 1.0
CB C:ASP101 4.4 35.2 1.0
H C:ASP101 4.4 40.4 1.0
O B:HOH316 4.5 33.0 1.0
CE B:LYS30 4.5 43.6 1.0
HG2 B:GLU153 4.6 34.7 1.0
O C:HOH360 4.7 40.3 1.0
HB3 C:ASP101 4.8 42.2 1.0
HG3 B:GLU153 4.8 34.7 1.0
HB2 B:GLU153 4.8 25.7 1.0
HE2 B:LYS30 4.8 52.3 1.0
HB2 C:ASP101 4.8 42.2 1.0
N C:ASP101 5.0 33.6 1.0

Cadmium binding site 5 out of 10 in 6sgf

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Cadmium binding site 5 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd206

b:0.8
occ:1.00
O B:HOH389 2.7 43.6 1.0
O B:HOH392 3.1 22.6 1.0
HB1 B:ALA50 3.2 26.5 1.0
OD1 B:ASP51 3.4 22.0 1.0
OD2 B:ASP51 3.7 29.3 1.0
CG B:ASP51 3.8 24.6 1.0
CB B:ALA50 4.1 22.1 1.0
H B:ASP51 4.2 24.5 1.0
HB2 B:ALA50 4.5 26.5 1.0
N B:ASP51 4.6 20.4 1.0
HB3 B:ALA50 4.6 26.5 1.0
HA B:ALA50 4.6 19.8 1.0
CA B:ALA50 4.9 16.5 1.0
O B:HOH406 4.9 39.0 1.0
CB B:ASP51 5.0 20.8 1.0

Cadmium binding site 6 out of 10 in 6sgf

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Cadmium binding site 6 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd205

b:31.6
occ:1.00
O C:HOH349 2.3 41.0 1.0
OD1 E:ASP87 2.4 26.7 1.0
OD1 F:ASP51 2.5 32.7 1.0
OD2 F:ASP51 2.5 25.9 1.0
OD2 C:ASP46 2.5 42.3 1.0
OD1 C:ASP46 2.8 36.2 1.0
CG F:ASP51 2.9 26.6 1.0
CG C:ASP46 3.0 35.0 1.0
O C:HOH301 3.4 39.9 1.0
CG E:ASP87 3.4 31.6 1.0
OD2 E:ASP87 3.6 28.6 1.0
O F:HOH345 4.0 28.6 1.0
CL F:CL205 4.0 12.9 1.0
HZ2 E:LYS89 4.1 51.1 1.0
HA E:ASP87 4.3 22.6 1.0
CB F:ASP51 4.4 26.1 1.0
O C:HOH311 4.4 28.9 1.0
CB C:ASP46 4.5 25.7 1.0
HB3 C:ASP46 4.7 30.9 1.0
CB E:ASP87 4.7 18.5 1.0
HB3 F:ASP51 4.8 31.3 1.0
HB2 F:ASP51 4.8 31.3 1.0
NZ E:LYS89 4.8 42.6 1.0
H F:ASP51 4.9 30.3 1.0
HB2 C:ASP46 4.9 30.9 1.0
HZ3 E:LYS89 4.9 51.1 1.0
HA F:ASP51 4.9 28.8 1.0
CA E:ASP87 4.9 18.8 1.0
HZ1 E:LYS89 5.0 51.1 1.0
H E:ASP87 5.0 22.2 1.0

Cadmium binding site 7 out of 10 in 6sgf

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Cadmium binding site 7 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd206

b:27.1
occ:1.00
O C:HOH387 2.2 35.2 1.0
OD2 F:ASP46 2.4 35.5 1.0
OD1 D:ASP87 2.4 24.5 1.0
OD1 C:ASP51 2.5 27.7 1.0
O C:HOH383 2.5 44.1 1.0
OD2 C:ASP51 2.6 24.0 1.0
O F:HOH338 2.6 38.4 1.0
CG C:ASP51 2.9 26.2 1.0
CG F:ASP46 3.2 33.8 1.0
CG D:ASP87 3.4 31.4 1.0
OD1 F:ASP46 3.4 38.1 1.0
OD2 D:ASP87 3.7 32.5 1.0
CL C:CL209 4.0 10.4 1.0
HZ2 D:LYS89 4.0 62.3 1.0
HA D:ASP87 4.3 22.4 1.0
O C:HOH334 4.3 35.5 1.0
CB C:ASP51 4.4 24.6 1.0
O C:HOH369 4.4 23.3 1.0
HZ1 D:LYS89 4.4 62.3 1.0
O C:HOH392 4.4 50.8 1.0
O F:HOH396 4.5 36.9 1.0
O F:HOH390 4.6 41.8 1.0
CB F:ASP46 4.6 28.6 1.0
NZ D:LYS89 4.6 51.9 1.0
CB D:ASP87 4.7 22.7 1.0
HB3 C:ASP51 4.8 29.6 1.0
HB2 C:ASP51 4.8 29.6 1.0
HB2 F:ASP46 4.8 34.4 1.0
HZ3 D:LYS89 4.8 62.3 1.0
HB3 F:ASP46 4.9 34.4 1.0
H C:ASP51 4.9 29.0 1.0
HA C:ASP51 4.9 25.7 1.0

Cadmium binding site 8 out of 10 in 6sgf

Go back to Cadmium Binding Sites List in 6sgf
Cadmium binding site 8 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd207

b:44.8
occ:1.00
CL C:CL208 2.3 5.4 1.0
OD1 C:ASP87 2.4 24.5 1.0
O D:HOH393 2.5 31.9 1.0
OD1 D:ASP51 2.8 23.3 1.0
CG C:ASP87 3.1 26.6 1.0
OD2 C:ASP87 3.2 27.4 1.0
OD2 D:ASP51 3.3 31.5 1.0
CG D:ASP51 3.4 29.6 1.0
CL C:CL210 3.8 30.0 1.0
O D:HOH370 4.3 27.2 1.0
O C:HOH380 4.5 27.6 1.0
CB C:ASP87 4.6 22.1 1.0
HA C:ASP87 4.6 25.6 1.0
CB D:ASP51 4.9 23.2 1.0
HB3 C:ASP87 5.0 26.5 1.0

Cadmium binding site 9 out of 10 in 6sgf

Go back to Cadmium Binding Sites List in 6sgf
Cadmium binding site 9 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cd205

b:66.4
occ:1.00
O A:HOH405 2.3 37.4 1.0
OE1 D:GLU153 2.6 49.4 1.0
OE2 D:GLU153 2.9 57.8 1.0
O A:HOH408 3.0 34.9 1.0
CD D:GLU153 3.1 49.5 1.0
HA2 A:GLY99 3.6 37.9 1.0
HZ2 A:LYS66 3.8 30.2 1.0
HB3 A:ASP129 4.0 33.6 1.0
O A:HOH397 4.1 21.0 1.0
O A:HOH410 4.3 44.8 1.0
O A:HOH375 4.4 32.1 1.0
HB3 D:ALA80 4.5 19.4 1.0
CA A:GLY99 4.5 31.6 1.0
CG D:GLU153 4.5 31.6 1.0
O D:HOH374 4.6 42.3 1.0
OD2 A:ASP129 4.6 21.6 1.0
NZ A:LYS66 4.7 25.1 1.0
HE2 D:LYS30 4.7 63.4 1.0
H A:GLY99 4.7 31.5 1.0
HB3 D:GLU153 4.8 29.7 1.0
CB A:ASP129 4.8 28.0 1.0
HB2 A:ASP129 4.9 33.6 1.0
HZ1 D:LYS30 4.9 67.6 1.0
HG2 D:GLU153 4.9 38.0 1.0
HZ1 A:LYS66 4.9 30.2 1.0
O A:GLY99 5.0 39.1 1.0
HB2 D:GLU153 5.0 29.7 1.0
HZ3 D:LYS30 5.0 67.6 1.0

Cadmium binding site 10 out of 10 in 6sgf

Go back to Cadmium Binding Sites List in 6sgf
Cadmium binding site 10 out of 10 in the Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of Molecular Insight Into A New Low Affinity Xylan Binding Module CBM86, From the Xylanolytic Gut Symbiont Roseburia Intestinalis. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cd205

b:35.3
occ:1.00
OD2 E:ASP51 2.1 33.1 1.0
OD2 F:ASP87 2.3 25.4 1.0
O F:HOH388 2.5 43.3 1.0
CG E:ASP51 2.8 28.6 1.0
OD1 E:ASP51 2.9 25.4 1.0
CG F:ASP87 3.1 25.3 1.0
OD1 F:ASP87 3.2 32.6 1.0
CL E:CL206 3.8 5.6 1.0
CB E:ASP51 4.2 20.7 1.0
HB3 E:ASP51 4.5 24.8 1.0
HB2 E:ASP51 4.5 24.8 1.0
CB F:ASP87 4.6 19.5 1.0
O E:HOH398 4.6 45.9 1.0
O F:HOH321 4.7 33.4 1.0
HB2 F:ASP87 4.8 23.4 1.0
HB3 F:ASP87 4.9 23.4 1.0

Reference:

M.L.Leth, M.Ejby, E.Madland, Y.Kitaoku, D.J.Slotboom, A.Guskov, F.L.Aachmann, M.Abou Hachem. Molecular Insight Into A New Low Affinity Xylan Binding Module From the Xylanolytic Gut Symbiont Roseburia Intestinalis. Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31693302
DOI: 10.1111/FEBS.15117
Page generated: Sat Dec 12 08:29:14 2020

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