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Caesium in PDB 4ng8: Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.

Enzymatic activity of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.

All present enzymatic activity of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.:
3.2.1.17;

Protein crystallography data

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K., PDB code: 4ng8 was solved by P.Benas, L.Legrand, M.Ries-Kautt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.82 / 1.09
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.935, 78.935, 37.065, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 17.6

Other elements in 4ng8:

The structure of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. (pdb code 4ng8). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 9 binding sites of Caesium where determined in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K., PDB code: 4ng8:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 4ng8

Go back to Caesium Binding Sites List in 4ng8
Caesium binding site 1 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs201

b:25.7
occ:0.73
 OD1 A:ASN77 2.8 24.4 1.0
O A:ASN74 3.1 15.5 1.0
O A:HOH418 3.1 36.3 0.9
O A:ARG73 3.1 18.0 1.0
O A:HOH440 3.3 35.5 0.9
CG A:ASN77 3.8 20.6 1.0
C A:ASN74 3.8 15.1 1.0
ND2 A:ASN77 4.2 26.8 1.0
C A:ARG73 4.3 16.1 1.0
CB A:ASN74 4.3 15.6 1.0
CA A:ASN74 4.6 15.7 1.0
N A:LEU75 4.6 14.7 1.0
CA A:LEU75 4.7 15.3 1.0
O A:HOH433 4.8 26.7 0.8
CG A:ASN74 4.9 15.0 1.0
N A:ASN74 4.9 15.5 1.0

Caesium binding site 2 out of 9 in 4ng8

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Caesium binding site 2 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs202

b:22.6
occ:0.60
 O A:ASN19 3.1 15.6 1.0
O A:HOH443 3.6 39.3 0.8
C A:ASN19 4.1 14.7 1.0
O A:HOH336 4.1 21.4 1.0
ND2 A:ASN19 4.2 16.9 1.0
CG A:ASN19 4.4 14.6 1.0
CB A:ASN19 4.4 16.4 1.0
N A:GLY22 4.7 13.4 1.0
CA A:ASN19 4.9 15.1 1.0
N A:ARG21 5.0 13.6 1.0

Caesium binding site 3 out of 9 in 4ng8

Go back to Caesium Binding Sites List in 4ng8
Caesium binding site 3 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs203

b:50.8
occ:0.32
 CS A:CS203 0.0 50.8 0.3
O A:HOH414 2.6 46.1 1.0
CS A:CS203 2.9 41.6 0.4
OD2 A:ASP101 3.1 40.0 1.0
OD1 A:ASP101 3.7 33.4 1.0
CG A:ASP101 3.8 28.2 1.0
CE3 A:TRP62 3.9 31.9 1.0
CD2 A:TRP62 4.0 27.0 1.0
CZ3 A:TRP62 4.2 38.2 1.0
CZ2 A:TRP63 4.4 14.8 1.0
CG A:TRP62 4.4 20.0 1.0
CE2 A:TRP62 4.5 31.3 1.0
CD1 A:LEU75 4.5 22.7 1.0
CH2 A:TRP63 4.5 15.2 1.0
CH2 A:TRP62 4.6 40.0 1.0
CZ2 A:TRP62 4.8 36.1 1.0
CB A:TRP62 4.9 16.1 1.0

Caesium binding site 4 out of 9 in 4ng8

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Caesium binding site 4 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs203

b:41.6
occ:0.44
 CS A:CS203 0.0 41.6 0.4
O A:HOH414 2.6 46.1 1.0
CS A:CS203 2.9 50.8 0.3
OD2 A:ASP101 3.3 40.0 1.0
CD1 A:TRP62 3.8 25.9 1.0
NE1 A:TRP62 3.8 28.7 1.0
CG A:TRP62 4.0 20.0 1.0
CE2 A:TRP62 4.1 31.3 1.0
CD2 A:TRP62 4.1 27.0 1.0
O A:HOH365 4.2 24.8 1.0
CZ2 A:TRP63 4.4 14.8 1.0
CB A:TRP62 4.6 16.1 1.0
CG A:ASP101 4.7 28.2 1.0
CZ2 A:TRP62 4.8 36.1 1.0
NE1 A:TRP63 4.9 13.7 1.0
CE2 A:TRP63 4.9 13.2 1.0
CE3 A:TRP62 4.9 31.9 1.0

Caesium binding site 5 out of 9 in 4ng8

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Caesium binding site 5 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs204

b:36.0
occ:0.33
 O A:ASP101 3.1 23.0 1.0
OD2 A:ASP101 3.2 40.0 1.0
CG A:ASP101 3.5 28.2 1.0
O A:HOH441 3.6 26.4 0.8
C A:ASP101 4.0 18.1 1.0
OD1 A:ASP101 4.0 33.4 1.0
ND2 A:ASN103 4.0 21.5 1.0
CS A:CS205 4.1 40.2 0.4
CB A:ASP101 4.2 22.1 1.0
O A:HOH453 4.3 41.2 0.9
CG A:ASN103 4.6 16.1 1.0
N A:GLY102 4.6 16.0 1.0
CA A:GLY102 4.7 15.9 1.0
CA A:ASP101 4.8 18.5 1.0
N A:ASN103 4.8 13.9 1.0

Caesium binding site 6 out of 9 in 4ng8

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Caesium binding site 6 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs205

b:40.2
occ:0.41
 O A:ASP101 3.1 23.0 1.0
OD1 A:ASP101 3.1 33.4 1.0
CG A:ASP101 3.9 28.2 1.0
C A:ASP101 4.1 18.1 1.0
CS A:CS204 4.1 36.0 0.3
CA A:ASP101 4.5 18.5 1.0
OD2 A:ASP101 4.7 40.0 1.0
CB A:ASP101 4.8 22.1 1.0

Caesium binding site 7 out of 9 in 4ng8

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Caesium binding site 7 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs206

b:22.0
occ:0.44
 CS A:CS206 0.0 22.0 0.4
OD1 A:ASN46 2.7 21.4 1.0
CS A:CS206 2.8 30.8 0.3
CS A:CS207 3.3 25.4 0.3
OD2 A:ASP52 3.5 16.8 1.0
CB A:ASN44 3.8 12.6 1.0
CG A:ASN46 3.8 16.3 1.0
O A:ASN44 4.0 12.1 1.0
O A:ARG45 4.0 17.6 0.5
O A:ARG45 4.0 17.2 0.5
CG A:ASP52 4.2 12.7 1.0
C A:ASN44 4.3 10.8 1.0
C A:ARG45 4.3 13.2 0.5
C A:ARG45 4.4 13.6 0.5
CA A:ASN46 4.5 15.9 1.0
N A:ASN46 4.6 13.7 1.0
O A:HOH383 4.6 60.3 0.9
O A:HOH404 4.6 25.6 0.9
CB A:ASP52 4.6 10.4 1.0
ND2 A:ASN46 4.6 17.1 1.0
CA A:ASN44 4.7 11.0 1.0
CB A:ASN46 4.7 15.6 1.0
O A:HOH406 4.8 29.0 0.9
O A:HOH363 4.8 26.3 1.0
CG A:ASN44 4.8 14.0 1.0
N A:ARG45 4.9 11.3 0.5
N A:ARG45 4.9 11.6 0.5
OE1 A:GLN57 4.9 11.8 1.0

Caesium binding site 8 out of 9 in 4ng8

Go back to Caesium Binding Sites List in 4ng8
Caesium binding site 8 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs206

b:30.8
occ:0.35
 CS A:CS206 0.0 30.8 0.3
O A:HOH404 2.6 25.6 0.9
CS A:CS206 2.8 22.0 0.4
OD1 A:ASN46 2.8 21.4 1.0
O A:HOH419 3.1 31.9 0.8
OD2 A:ASP52 3.2 16.8 1.0
CS A:CS207 3.9 25.4 0.3
CG A:ASN46 3.9 16.3 1.0
O A:HOH383 4.1 60.3 0.9
CG A:ASP52 4.3 12.7 1.0
O A:HOH350 4.6 19.6 0.9
ND2 A:ASN46 4.6 17.1 1.0
O A:HOH317 4.7 16.8 1.0
OD1 A:ASP52 4.8 14.2 1.0
CB A:ASN46 4.9 15.6 1.0

Caesium binding site 9 out of 9 in 4ng8

Go back to Caesium Binding Sites List in 4ng8
Caesium binding site 9 out of 9 in the Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Dialyzed Hew Lysozyme Batch Crystallized in 1.9 M Cscl and Collected at 100 K. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs207

b:25.4
occ:0.28
 O A:HOH363 2.7 26.3 1.0
OD2 A:ASP52 3.2 16.8 1.0
OE1 A:GLN57 3.2 11.8 1.0
CS A:CS206 3.3 22.0 0.4
OE1 A:GLU35 3.5 12.5 1.0
O A:HOH350 3.7 19.6 0.9
CG A:GLN57 3.8 10.2 1.0
CB A:GLN57 3.9 10.6 1.0
CS A:CS206 3.9 30.8 0.3
CD A:GLN57 3.9 10.4 1.0
CG A:ASP52 4.2 12.7 1.0
CB A:ASP52 4.3 10.4 1.0
O A:HOH364 4.4 16.9 1.0
ND2 A:ASN44 4.5 15.9 1.0
CB A:ASN44 4.5 12.6 1.0
O A:HOH312 4.6 15.6 1.0
O A:GLU35 4.7 11.7 1.0
CD A:GLU35 4.8 11.5 1.0
CG A:ASN44 4.9 14.0 1.0
O A:HOH404 4.9 25.6 0.9
O A:HOH320 5.0 13.9 0.9

Reference:

P.Benas, N.Auzeil, L.Legrand, F.Brachet, A.Regazzetti, M.Ries-Kautt. Weak Protein-Cationic Co-Ion Interactions Addressed By X-Ray Crystallography and Mass Spectrometry. Acta Crystallogr.,Sect.D V. 70 2217 2014.
ISSN: ISSN 0907-4449
PubMed: 25084340
DOI: 10.1107/S1399004714011304
Page generated: Sun Dec 13 10:56:32 2020

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