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Caesium in PDB 5cjz: BT4246 with Galactose

Protein crystallography data

The structure of BT4246 with Galactose, PDB code: 5cjz was solved by N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.88 / 1.80
Space group P 6 2 2
Cell size a, b, c (Å), α, β, γ (°) 155.925, 155.925, 114.315, 90.00, 90.00, 120.00
R / Rfree (%) 17.5 / 21.1

Other elements in 5cjz:

The structure of BT4246 with Galactose also contains other interesting chemical elements:

Potassium (K) 2 atoms
Calcium (Ca) 1 atom

Caesium Binding Sites:

The binding sites of Caesium atom in the BT4246 with Galactose (pdb code 5cjz). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the BT4246 with Galactose, PDB code: 5cjz:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 5cjz

Go back to Caesium Binding Sites List in 5cjz
Caesium binding site 1 out of 3 in the BT4246 with Galactose


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of BT4246 with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs704

b:40.0
occ:1.00
O A:ASN261 2.9 19.9 1.0
O A:GLY237 3.0 17.9 1.0
OD1 A:ASN261 3.2 34.1 1.0
O A:HOH1245 3.6 24.3 1.0
CG A:ASN261 3.9 30.9 1.0
C A:ASN261 4.0 20.6 1.0
C A:GLY237 4.1 18.1 1.0
O A:HOH1447 4.1 26.7 1.0
O A:HOH1116 4.3 37.4 1.0
ND2 A:ASN261 4.3 33.3 1.0
O A:HOH1542 4.5 23.8 1.0
CA A:GLY237 4.6 12.8 1.0
O A:HOH1387 4.8 31.7 1.0
CA A:ASN261 4.8 20.2 1.0
O A:HOH808 4.8 22.8 1.0
N A:THR262 4.9 18.9 1.0
CB A:ASN261 5.0 19.4 1.0
CA A:THR262 5.0 19.3 1.0

Caesium binding site 2 out of 3 in 5cjz

Go back to Caesium Binding Sites List in 5cjz
Caesium binding site 2 out of 3 in the BT4246 with Galactose


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of BT4246 with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs705

b:40.0
occ:1.00
O A:VAL630 2.9 16.4 1.0
O A:MET636 3.0 18.5 1.0
O A:ASN633 3.3 18.2 1.0
O A:HOH1527 3.4 37.8 1.0
O A:PRO634 3.4 19.9 1.0
O A:HOH1404 3.7 37.6 1.0
C A:PRO634 3.8 17.1 1.0
CA A:PRO634 3.9 17.8 1.0
CG1 A:VAL630 4.0 19.1 1.0
C A:VAL630 4.0 18.7 1.0
C A:MET636 4.1 19.7 1.0
C A:ASN633 4.2 17.8 1.0
N A:MET636 4.3 16.5 1.0
N A:PRO634 4.5 19.5 1.0
CA A:MET636 4.7 15.4 1.0
CA A:VAL630 4.7 17.1 1.0
N A:GLN635 4.8 17.2 1.0
CB A:MET636 4.9 14.6 1.0

Caesium binding site 3 out of 3 in 5cjz

Go back to Caesium Binding Sites List in 5cjz
Caesium binding site 3 out of 3 in the BT4246 with Galactose


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of BT4246 with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs706

b:40.0
occ:1.00
O A:PRO392 3.0 11.2 1.0
O A:ASP395 3.1 11.5 1.0
O A:PHE398 3.1 11.5 1.0
O A:HOH1323 3.2 18.3 1.0
O A:THR399 3.5 13.5 1.0
O A:GLU393 3.6 14.3 1.0
C A:PHE398 4.0 13.2 1.0
C A:ASP395 4.0 11.2 1.0
C A:GLU393 4.0 14.3 1.0
C A:THR399 4.2 12.6 1.0
C A:PRO392 4.2 11.1 1.0
N A:ASP395 4.3 9.7 1.0
CA A:PRO400 4.3 13.3 1.0
CB A:PHE398 4.4 10.8 1.0
CA A:GLU393 4.4 12.8 1.0
N A:PRO400 4.5 14.1 1.0
CA A:PHE398 4.6 12.6 1.0
CA A:ASP395 4.7 11.3 1.0
N A:LYS394 4.7 11.0 1.0
N A:PHE398 4.7 12.3 1.0
C A:LYS394 4.8 11.3 1.0
N A:GLU393 4.8 11.4 1.0
N A:THR399 4.9 10.6 1.0
N A:LEU396 4.9 10.9 1.0
CD1 A:PHE398 5.0 11.9 1.0

Reference:

D.A.Ndeh, S.Nakjang, K.J.Kwiatkowski, N.M.Koropatkin, R.P.Hirt, D.N.Bolam. Mechanistic Insight Into Mucin Degradation By the Human Gut Microbiota Reveals Targeting of the Glycoprotein Core To Be Published.
Page generated: Sun Dec 13 10:56:41 2020

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