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Chlorine in PDB 4r6c: X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6

Enzymatic activity of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6

All present enzymatic activity of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6:
3.2.1.17;

Protein crystallography data

The structure of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6, PDB code: 4r6c was solved by J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.36 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.070, 79.070, 37.235, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 23

Other elements in 4r6c:

The structure of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 also contains other interesting chemical elements:

Bromine (Br) 31 atoms
Platinum (Pt) 2 atoms
Tantalum (Ta) 12 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 (pdb code 4r6c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6, PDB code: 4r6c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 1 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:17.1
occ:1.00
OH A:TYR23 3.0 11.0 1.0
CZ A:TYR23 3.7 10.1 1.0
CE1 A:TYR23 3.7 10.5 1.0
CA A:GLY104 4.0 12.1 1.0
O A:ARG21 4.6 13.4 1.0
N A:GLY104 4.7 12.5 1.0
CL A:CL216 4.8 39.1 1.0
CE2 A:TYR23 4.9 9.6 1.0
CD1 A:TYR23 5.0 9.8 1.0

Chlorine binding site 2 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 2 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:31.1
occ:1.00
NE A:ARG68 2.7 24.5 1.0
OG1 A:THR51 2.7 11.0 1.0
OD2 A:ASP66 2.7 12.0 1.0
O A:GLY49 2.8 23.2 1.0
OG1 A:THR69 3.1 15.2 1.0
CD A:ARG68 3.3 23.5 1.0
N A:THR51 3.4 11.8 1.0
CB A:THR51 3.5 9.9 1.0
CG A:ARG68 3.5 21.0 1.0
C A:SER50 3.5 14.3 1.0
CG A:ASP66 3.6 12.0 1.0
OG A:SER60 3.7 13.2 1.0
CA A:SER50 3.7 16.3 1.0
CZ A:ARG68 3.7 27.6 1.0
OD1 A:ASP66 3.8 14.9 1.0
O A:ARG68 3.9 23.2 1.0
C A:GLY49 3.9 21.1 1.0
NH2 A:ARG68 3.9 22.8 1.0
NE A:ARG45 3.9 19.8 1.0
CA A:THR51 4.0 10.6 1.0
NH2 A:ARG45 4.2 17.1 1.0
O A:SER50 4.2 14.6 1.0
N A:SER50 4.3 18.3 1.0
C A:ARG68 4.3 18.9 1.0
OH A:TYR53 4.3 11.8 1.0
CZ A:ARG45 4.4 21.6 1.0
CB A:THR69 4.4 17.7 1.0
CB A:ARG68 4.5 20.1 1.0
CB A:SER60 4.6 13.0 1.0
CL A:CL215 4.7 41.0 0.5
N A:THR69 4.8 17.6 1.0
CD A:ARG45 4.8 19.1 1.0
CA A:THR69 4.8 18.2 1.0
CG2 A:THR51 4.8 9.8 1.0
NH1 A:ARG68 4.9 30.6 1.0
CB A:SER50 4.9 15.6 1.0
CG2 A:THR69 5.0 16.9 1.0
CA A:ARG68 5.0 18.9 1.0
CB A:ASP66 5.0 12.5 1.0

Chlorine binding site 3 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 3 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:31.6
occ:1.00
NA A:NA213 1.9 28.6 1.0
N A:THR69 3.1 17.6 1.0
O A:HOH309 3.1 16.1 1.0
O A:THR69 3.2 22.6 1.0
C A:THR69 3.5 22.5 1.0
N A:ARG68 3.6 16.9 1.0
C A:GLY67 3.6 16.0 1.0
OD1 A:ASN65 3.7 22.0 1.0
OG A:SER72 3.7 31.6 1.0
CA A:THR69 3.8 18.2 1.0
CA A:GLY67 3.8 14.8 1.0
N A:GLY67 3.8 14.1 1.0
O A:HOH311 4.0 25.9 1.0
C A:ARG68 4.1 18.9 1.0
O A:GLY67 4.1 20.3 1.0
CB A:THR69 4.2 17.7 1.0
CA A:ARG68 4.2 18.9 1.0
N A:PRO70 4.3 29.2 1.0
OD1 A:ASP66 4.4 14.9 1.0
CA A:PRO70 4.7 33.4 1.0
CL A:CL214 4.8 66.4 0.5
NA A:NA209 4.8 22.4 1.0
OG1 A:THR69 4.8 15.2 1.0
CG A:ASN65 4.8 20.7 1.0
C A:ASP66 4.9 13.7 1.0
N A:ASP66 5.0 12.4 1.0
CB A:SER72 5.0 34.0 1.0

Chlorine binding site 4 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 4 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:35.3
occ:1.00
CE2 A:PHE38 3.7 15.1 1.0
NZ A:LYS33 3.9 22.4 1.0
CZ3 A:TRP123 3.9 19.4 1.0
O A:HOH374 4.0 32.3 1.0
CD A:ARG5 4.1 21.1 1.0
CD A:LYS33 4.2 17.0 1.0
CE A:LYS33 4.2 19.8 1.0
CB A:ARG5 4.3 18.7 1.0
CZ A:PHE38 4.3 13.1 1.0
CG A:ARG5 4.6 19.6 1.0
CD2 A:PHE38 4.6 14.4 1.0
CH2 A:TRP123 4.7 19.4 1.0
CE3 A:TRP123 4.7 18.4 1.0
NE A:ARG5 4.8 22.6 1.0

Chlorine binding site 5 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 5 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:42.0
occ:1.00
NH1 A:ARG68 3.0 30.6 1.0
CL A:CL215 3.2 41.0 0.5
CD A:ARG68 3.9 23.5 1.0
CZ A:ARG68 4.1 27.6 1.0
NE A:ARG68 4.4 24.5 1.0
CG A:ARG68 4.8 21.0 1.0
CB A:ARG68 4.8 20.1 1.0

Chlorine binding site 6 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 6 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:21.5
occ:1.00
OG A:SER24 3.1 16.5 1.0
N A:GLY26 3.1 12.6 1.0
CA A:GLY26 3.5 12.9 1.0
CB A:SER24 3.5 15.4 1.0
CA A:GLN121 3.6 19.8 1.0
CD1 A:ILE124 3.7 30.2 1.0
CG A:GLN121 3.7 33.4 1.0
N A:GLN121 3.9 18.8 1.0
CB A:GLN121 4.0 25.9 1.0
BR8 A:TBR201 4.2 21.6 0.4
N A:LEU25 4.2 13.3 1.0
C A:SER24 4.3 13.8 1.0
C A:LEU25 4.3 14.3 1.0
CG2 A:VAL120 4.3 16.4 1.0
CG1 A:ILE124 4.3 24.7 1.0
C A:VAL120 4.3 16.4 1.0
O A:VAL120 4.4 18.0 1.0
CA A:SER24 4.5 13.8 1.0
C A:GLY26 4.6 10.5 1.0
CA A:LEU25 4.6 13.6 1.0
O A:SER24 4.7 12.8 1.0
N A:ASN27 4.7 10.2 1.0
C A:GLN121 4.8 17.9 1.0
BRC A:TBR201 4.9 30.4 0.4
CD A:GLN121 4.9 44.2 1.0
CB A:LEU25 5.0 15.2 1.0

Chlorine binding site 7 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 7 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:66.4
occ:0.50
N A:GLY71 2.9 42.7 1.0
CA A:GLY71 3.5 45.1 1.0
C A:PRO70 3.9 36.5 1.0
CA A:PRO70 4.0 33.4 1.0
N A:SER72 4.4 39.1 1.0
C A:GLY71 4.5 45.4 1.0
O A:THR69 4.6 22.6 1.0
CL A:CL208 4.8 31.6 1.0
CB A:PRO70 5.0 34.2 1.0

Chlorine binding site 8 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 8 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl215

b:41.0
occ:0.50
NH2 A:ARG45 2.3 17.1 1.0
CD A:ARG68 2.5 23.5 1.0
NH1 A:ARG68 2.7 30.6 1.0
NE A:ARG68 2.8 24.5 1.0
CZ A:ARG68 2.9 27.6 1.0
CZ A:ARG45 3.1 21.6 1.0
CL A:CL211 3.2 42.0 1.0
NH1 A:ARG45 3.2 23.3 1.0
CG A:ARG68 4.0 21.0 1.0
NH2 A:ARG68 4.0 22.8 1.0
NE A:ARG45 4.1 19.8 1.0
OG1 A:THR51 4.6 11.0 1.0
CL A:CL207 4.7 31.1 1.0
CB A:ARG68 4.9 20.1 1.0

Chlorine binding site 9 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 9 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl216

b:39.1
occ:1.00
O A:VAL99 2.6 16.6 1.0
N A:GLY102 3.0 27.9 1.0
N A:GLY104 3.2 12.5 1.0
CA A:GLY102 3.3 24.2 1.0
C A:GLY102 3.4 22.1 1.0
CA A:GLY104 3.5 12.1 1.0
C A:SER100 3.6 24.1 1.0
C A:VAL99 3.6 16.7 1.0
O A:SER100 3.8 28.4 1.0
N A:ASN103 3.8 21.5 1.0
N A:ASP101 3.8 29.0 1.0
O A:GLY102 3.8 20.8 1.0
CA A:SER100 3.9 21.1 1.0
N A:SER100 4.1 17.6 1.0
C A:ASP101 4.1 30.4 1.0
C A:ASN103 4.3 13.4 1.0
CA A:ASN103 4.5 20.5 1.0
CA A:ASP101 4.6 32.1 1.0
O A:HOH363 4.6 25.7 1.0
CA A:VAL99 4.8 13.0 1.0
C A:GLY104 4.8 10.4 1.0
CL A:CL206 4.8 17.1 1.0
NH1 A:ARG21 5.0 39.8 1.0

Chlorine binding site 10 out of 12 in 4r6c

Go back to Chlorine Binding Sites List in 4r6c
Chlorine binding site 10 out of 12 in the X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science: the X-Ray Crystal Structure of Hen Egg White Lysozyme Cocrystallized with TA6BR12 and Then A Crystal Soaked in K2PTBR6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl217

b:46.0
occ:1.00
O A:HOH302 2.1 35.3 1.0
N A:ASN59 3.2 12.4 1.0
CA A:ILE58 3.6 11.4 1.0
CB A:ASN59 3.6 15.6 1.0
O A:GLN57 3.8 12.3 1.0
CD1 A:TRP63 3.9 15.2 1.0
C A:ILE58 3.9 12.6 1.0
CA A:ASN59 4.0 13.4 1.0
NE1 A:TRP63 4.1 17.1 1.0
CD1 A:ILE98 4.3 13.8 1.0
CB A:ILE58 4.4 11.8 1.0
CG2 A:ILE58 4.5 13.2 1.0
N A:ILE58 4.6 10.1 1.0
C A:GLN57 4.6 10.9 1.0
CG1 A:ILE58 4.6 12.3 1.0
O A:HOH342 4.8 35.6 1.0
CG A:TRP63 4.9 15.1 1.0
O A:ASN59 4.9 14.9 1.0
NE1 A:TRP108 5.0 10.5 1.0
C A:ASN59 5.0 12.8 1.0

Reference:

J.R.Helliwell, A.Brink, S.Kaenket, V.L.Starkey, S.W.Tanley. X-Ray Diffraction in Temporally and Spatially Resolved Biomolecular Science. Faraday Discuss 2015.
PubMed: 25605312
DOI: 10.1039/C4FD00166D
Page generated: Wed Oct 28 12:07:55 2020

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