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Chlorine in PDB 6sij: Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs

Enzymatic activity of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs

All present enzymatic activity of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs:
3.2.1.17;

Protein crystallography data

The structure of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs, PDB code: 6sij was solved by M.J.Garcia-Bonete, G.Katona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.54 / 1.61
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.070, 79.070, 36.980, 90.00, 90.00, 90.00
R / Rfree (%) 14.1 / 16.7

Other elements in 6sij:

The structure of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs (pdb code 6sij). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs, PDB code: 6sij:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6sij

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Chlorine binding site 1 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:23.1
occ:1.00
 O A:HOH420 3.3 34.8 1.0
NZ A:LYS51 3.6 17.5 1.0
CE2 A:PHE56 3.7 10.4 1.0
CZ3 A:TRP141 3.9 11.8 1.0
CE A:LYS51 4.1 18.5 1.0
O A:HOH407 4.1 39.7 1.0
CD A:ARG23 4.2 14.1 1.0
CD A:LYS51 4.2 10.7 1.0
CB A:ARG23 4.3 17.2 1.0
CZ A:PHE56 4.4 10.5 1.0
O A:HOH402 4.4 34.6 1.0
CG A:ARG23 4.6 15.9 1.0
CD2 A:PHE56 4.7 10.6 1.0
CE3 A:TRP141 4.7 10.7 1.0
C1 A:EDO202 4.7 31.8 1.0
NE A:ARG23 4.8 16.4 1.0
CH2 A:TRP141 4.8 12.5 1.0

Chlorine binding site 2 out of 8 in 6sij

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Chlorine binding site 2 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:23.8
occ:1.00
 O A:HOH428 3.2 19.1 1.0
ND2 A:ASN83 3.3 15.4 1.0
CB A:PRO97 3.7 11.6 1.0
CA A:PRO97 3.8 7.9 1.0
CB A:ASN83 3.9 9.7 1.0
N A:PRO97 4.0 9.2 1.0
CG A:ASN83 4.1 13.8 1.0
CD A:PRO97 4.2 13.4 1.0
O A:ASN83 4.3 8.7 1.0
CG A:PRO97 4.4 15.5 1.0
C A:ILE96 4.6 11.5 1.0
O A:ILE96 4.7 10.7 1.0
ND2 A:ASN92 4.9 11.9 1.0
C A:ASN83 4.9 9.8 1.0
CA A:ASN83 5.0 8.6 1.0

Chlorine binding site 3 out of 8 in 6sij

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Chlorine binding site 3 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:28.7
occ:1.00
 N A:ASN92 3.1 13.7 1.0
O A:HOH345 3.1 37.1 1.0
NE A:ARG91 3.3 20.9 1.0
O A:HOH447 3.3 40.3 1.0
CB A:ARG91 3.7 15.2 1.0
C A:ASN92 3.7 12.1 1.0
O A:ASN92 3.8 14.3 1.0
CA A:ASN92 3.9 9.2 1.0
CA A:ARG91 3.9 13.0 1.0
CD A:ARG91 3.9 17.9 1.0
C A:ARG91 4.0 14.1 1.0
CD2 A:LEU93 4.1 21.2 1.0
CB A:ASN92 4.2 9.3 1.0
N A:LEU93 4.2 10.3 1.0
CZ A:ARG91 4.2 23.7 1.0
NH2 A:ARG91 4.3 22.4 1.0
CG A:ARG91 4.4 15.8 1.0
CA A:LEU93 4.6 11.7 1.0
CG A:LEU93 4.8 15.2 1.0
O A:HOH421 5.0 31.7 1.0

Chlorine binding site 4 out of 8 in 6sij

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Chlorine binding site 4 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:25.6
occ:1.00
 O A:HOH454 2.8 42.5 1.0
N A:ILE106 3.3 10.5 1.0
O A:HOH412 3.4 24.6 1.0
O A:HOH321 3.6 24.8 1.0
CG1 A:ILE106 3.6 10.7 1.0
CA A:ASP105 3.8 11.8 1.0
CE1 A:HIS33 3.9 19.4 1.0
O A:SER104 4.0 16.5 1.0
C A:ASP105 4.0 10.3 1.0
OD1 A:ASP105 4.2 16.9 1.0
CG2 A:ILE106 4.2 13.9 1.0
CB A:ILE106 4.2 8.3 1.0
CB A:ALA29 4.3 10.6 1.0
CZ A:PHE21 4.3 13.0 1.0
CA A:ILE106 4.3 7.5 1.0
O A:HOH391 4.3 34.6 1.0
CG A:ASP105 4.4 25.5 1.0
CD1 A:ILE106 4.5 12.5 1.0
NE2 A:HIS33 4.7 22.2 1.0
CB A:ASP105 4.7 17.5 1.0
ND1 A:HIS33 4.7 15.9 1.0
N A:ASP105 4.8 10.4 1.0
C A:SER104 4.8 15.8 1.0
CE2 A:PHE21 4.8 10.8 1.0
N A:THR107 5.0 10.6 1.0

Chlorine binding site 5 out of 8 in 6sij

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Chlorine binding site 5 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:15.4
occ:1.00
 N A:THR87 3.2 10.2 1.0
O A:HOH387 3.2 8.7 1.0
O A:HOH434 3.2 29.9 1.0
O A:THR87 3.3 12.3 1.0
O A:HOH443 3.4 19.7 1.0
N A:ARG86 3.5 10.4 0.5
N A:ARG86 3.5 10.3 0.5
C A:GLY85 3.5 11.2 1.0
O A:HOH346 3.6 25.3 1.0
CA A:GLY85 3.6 10.8 1.0
C A:THR87 3.7 10.5 1.0
OG A:SER90 3.7 16.5 1.0
N A:GLY85 3.7 9.9 1.0
OD1 A:ASN83 3.7 13.5 1.0
CA A:THR87 3.8 9.8 1.0
O A:HOH398 4.0 13.7 1.0
C A:ARG86 4.1 11.4 0.5
CB A:THR87 4.1 10.8 1.0
C A:ARG86 4.2 11.5 0.5
O A:GLY85 4.2 14.3 1.0
OD1 A:ASP84 4.2 8.3 1.0
CA A:ARG86 4.2 10.9 0.5
CA A:ARG86 4.3 11.6 0.5
N A:PRO88 4.6 11.3 1.0
NA A:NA206 4.7 13.8 1.0
C A:ASP84 4.8 8.8 1.0
OG1 A:THR87 4.8 9.1 1.0
O A:HOH400 4.8 17.9 0.5
CG A:ASN83 4.9 13.8 1.0
CB A:SER90 4.9 13.9 1.0
N A:ASP84 4.9 8.5 1.0

Chlorine binding site 6 out of 8 in 6sij

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Chlorine binding site 6 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:16.7
occ:1.00
 O A:HOH436 2.9 28.4 1.0
OG A:SER42 3.1 13.2 1.0
N A:GLY44 3.2 9.7 1.0
CB A:SER42 3.5 11.1 1.0
CA A:GLY44 3.5 9.9 1.0
CA A:GLN139 3.6 12.6 1.0
CD1 A:ILE142 3.8 27.1 1.0
N A:GLN139 3.9 12.1 1.0
CB A:GLN139 4.0 18.0 1.0
CG1 A:ILE142 4.2 21.7 1.0
CG A:GLN139 4.2 30.2 1.0
CG2 A:VAL138 4.2 12.4 1.0
N A:LEU43 4.2 9.3 1.0
O A:VAL138 4.3 10.4 1.0
C A:VAL138 4.3 10.6 1.0
C A:LEU43 4.4 8.1 1.0
C A:SER42 4.4 11.0 1.0
C A:GLY44 4.5 5.9 1.0
CA A:SER42 4.6 9.9 1.0
N A:ASN45 4.7 6.9 1.0
CA A:LEU43 4.8 6.7 1.0
C A:GLN139 4.8 11.9 1.0
O A:SER42 4.9 10.1 1.0
O A:HOH437 4.9 31.5 1.0

Chlorine binding site 7 out of 8 in 6sij

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Chlorine binding site 7 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:11.0
occ:1.00
 OH A:TYR41 3.1 8.1 1.0
O A:HOH377 3.3 12.2 1.0
CE2 A:TYR41 3.7 7.9 1.0
CZ A:TYR41 3.7 9.2 1.0
O A:HOH450 4.1 40.9 1.0
CA A:GLY122 4.1 6.0 1.0
O A:ARG39 4.6 10.8 1.0
N A:GLY122 4.7 8.2 1.0
CE1 A:TYR41 4.9 7.3 1.0
CD2 A:TYR41 5.0 7.1 1.0

Chlorine binding site 8 out of 8 in 6sij

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Chlorine binding site 8 out of 8 in the Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Sad Structure of Hen Egg White Lysozyme Recovered By Continuous Rotation Data Collection and Multivariate Analysis of Friedel Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:31.6
occ:1.00
 N A:LEU43 3.0 9.3 1.0
O A:HOH362 3.1 41.5 1.0
CA A:SER42 3.6 9.9 1.0
CB A:LEU43 3.6 11.4 1.0
CB A:ASP36 3.7 18.4 1.0
C A:SER42 3.8 11.0 1.0
N A:ASN37 3.8 14.3 1.0
CB A:SER42 3.8 11.1 1.0
CA A:LEU43 3.9 6.7 1.0
CA A:ASP36 4.1 17.1 1.0
C A:ASP36 4.1 16.7 1.0
CB A:ASN37 4.5 15.7 1.0
CA A:ASN37 4.6 11.2 1.0
OD2 A:ASP36 4.8 25.8 1.0
CG A:ASP36 4.8 22.1 1.0
N A:SER42 4.9 8.7 1.0
O A:ASP36 4.9 16.5 1.0
CG A:LEU43 5.0 11.9 1.0
O A:SER42 5.0 10.1 1.0

Reference:

M.J.Garcia-Bonete, G.Katona. Bayesian Machine Learning Improves Single-Wavelength Anomalous Diffraction Phasing. Acta Crystallogr.,Sect.A V. 75 851 2019.
ISSN: ESSN 2053-2733
PubMed: 31692460
DOI: 10.1107/S2053273319011446
Page generated: Mon Jul 29 14:58:42 2024

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