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Chlorine in PDB 4htk: Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons

Enzymatic activity of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons

All present enzymatic activity of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons:
3.2.1.17;

Protein crystallography data

The structure of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons, PDB code: 4htk was solved by N.E.C.Duke, Y.Z.Finfrock, E.A.Stern, R.W.Alkire, K.Lazarski, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.94 / 1.20
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.022, 79.022, 36.907, 90.00, 90.00, 90.00
R / Rfree (%) 13.4 / 15.2

Other elements in 4htk:

The structure of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons (pdb code 4htk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons, PDB code: 4htk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4htk

Go back to Chlorine Binding Sites List in 4htk
Chlorine binding site 1 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:9.1
occ:1.00
 OH A:TYR23 3.0 6.7 1.0
O A:HOH310 3.3 9.2 0.9
CZ A:TYR23 3.7 5.9 1.0
CE2 A:TYR23 3.7 5.8 1.0
CA A:GLY104 4.1 6.6 1.0
N A:GLY104 4.6 6.5 1.0
O A:ARG21 4.6 8.8 1.0
CE1 A:TYR23 4.9 6.0 1.0
CD2 A:TYR23 4.9 5.4 1.0

Chlorine binding site 2 out of 8 in 4htk

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Chlorine binding site 2 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:12.8
occ:1.00
 O A:HOH410 2.9 32.1 1.0
OG A:SER24 3.1 10.6 1.0
N A:GLY26 3.2 6.4 1.0
CA A:GLY26 3.5 6.4 1.0
CB A:SER24 3.5 9.4 1.0
CA A:GLN121 3.6 10.7 1.0
CD1 A:ILE124 3.8 14.1 0.6
N A:GLN121 3.9 9.3 1.0
CB A:GLN121 3.9 14.9 1.0
CG1 A:ILE124 4.0 10.7 0.5
CG A:GLN121 4.2 18.5 1.0
N A:LEU25 4.2 7.4 1.0
C A:VAL120 4.2 8.4 1.0
O A:VAL120 4.2 8.2 1.0
CG2 A:VAL120 4.3 10.3 1.0
CG1 A:ILE124 4.3 12.9 0.6
C A:LEU25 4.4 6.4 1.0
C A:SER24 4.4 7.5 1.0
CD1 A:ILE124 4.5 12.5 0.5
C A:GLY26 4.5 5.9 1.0
CA A:SER24 4.6 7.7 1.0
N A:ASN27 4.6 5.7 1.0
CA A:LEU25 4.8 7.6 1.0
C A:GLN121 4.8 8.8 1.0
O A:SER24 4.9 8.0 1.0
O A:HOH389 5.0 26.3 0.9

Chlorine binding site 3 out of 8 in 4htk

Go back to Chlorine Binding Sites List in 4htk
Chlorine binding site 3 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:12.2
occ:1.00
 N A:THR69 3.1 8.4 1.0
O A:HOH375 3.1 25.6 1.0
O A:HOH304 3.1 8.2 1.0
O A:THR69 3.3 10.1 1.0
O A:HOH434 3.3 21.7 1.0
N A:ARG68 3.5 8.7 1.0
C A:GLY67 3.5 9.0 1.0
CA A:GLY67 3.6 9.4 1.0
C A:THR69 3.6 9.3 1.0
N A:GLY67 3.6 7.8 1.0
OG A:SER72 3.7 13.6 1.0
O A:HOH384 3.7 26.9 1.0
OD1 A:ASN65 3.7 10.1 1.0
CA A:THR69 3.8 8.2 1.0
O A:HOH320 4.1 13.3 1.0
O A:GLY67 4.1 10.8 1.0
C A:ARG68 4.2 10.1 1.0
CB A:THR69 4.2 8.2 1.0
OD1 A:ASP66 4.2 6.3 1.0
CA A:ARG68 4.3 9.9 0.6
CA A:ARG68 4.3 8.9 0.4
N A:PRO70 4.5 9.9 1.0
NA A:NA209 4.7 10.1 1.0
C A:ASP66 4.7 6.7 1.0
O A:HOH323 4.7 15.6 0.6
OG1 A:THR69 4.8 8.0 1.0
N A:ASP66 4.9 6.5 1.0
CB A:SER72 4.9 13.4 1.0
CG A:ASN65 4.9 10.0 1.0

Chlorine binding site 4 out of 8 in 4htk

Go back to Chlorine Binding Sites List in 4htk
Chlorine binding site 4 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:21.8
occ:1.00
 N A:ILE88 3.3 9.0 1.0
O A:HOH359 3.4 20.5 1.0
O A:HOH392 3.6 22.7 1.0
CG1 A:ILE88 3.6 10.3 1.0
CE1 A:HIS15 3.7 16.9 1.0
NE2 A:HIS15 3.7 14.3 0.0
CA A:ASP87 3.8 11.2 1.0
C A:ASP87 4.1 9.5 1.0
O A:SER86 4.1 12.8 1.0
OD1 A:ASP87 4.1 16.3 1.0
CB A:ALA11 4.2 9.4 1.0
CB A:ILE88 4.2 9.6 1.0
CG2 A:ILE88 4.3 11.0 1.0
CA A:ILE88 4.3 8.2 1.0
CZ A:PHE3 4.3 10.1 1.0
NE2 A:HIS15 4.4 18.8 1.0
O A:HOH427 4.5 31.6 0.9
CG A:ASP87 4.5 18.3 1.0
CD2 A:HIS15 4.5 13.5 0.0
CD1 A:ILE88 4.6 10.9 1.0
CE1 A:HIS15 4.6 13.6 0.0
ND1 A:HIS15 4.6 15.6 1.0
CB A:ASP87 4.7 14.6 1.0
CE2 A:PHE3 4.8 9.5 1.0
N A:ASP87 4.8 10.2 1.0
C A:SER86 4.9 11.0 1.0
N A:THR89 5.0 8.1 1.0

Chlorine binding site 5 out of 8 in 4htk

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Chlorine binding site 5 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:20.0
occ:1.00
 O A:HOH440 3.5 31.9 1.0
NZ A:LYS33 3.5 15.1 1.0
CE2 A:PHE38 3.7 7.9 1.0
CZ3 A:TRP123 3.9 12.1 1.0
CE A:LYS33 4.1 13.6 1.0
CD A:ARG5 4.2 13.7 1.0
O A:HOH437 4.2 34.2 0.9
CD A:LYS33 4.2 10.5 1.0
O A:HOH408 4.2 25.7 1.0
CB A:ARG5 4.3 13.2 1.0
CZ A:PHE38 4.3 7.5 1.0
CD2 A:PHE38 4.6 6.9 1.0
CG A:ARG5 4.7 12.7 1.0
CE3 A:TRP123 4.7 10.2 1.0
NE A:ARG5 4.8 14.3 1.0
C2 A:EDO211 4.8 25.4 0.8
CH2 A:TRP123 4.9 12.6 1.0

Chlorine binding site 6 out of 8 in 4htk

Go back to Chlorine Binding Sites List in 4htk
Chlorine binding site 6 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:19.4
occ:1.00
 O A:HOH356 3.1 19.0 1.0
ND2 A:ASN65 3.2 11.9 1.0
CB A:PRO79 3.7 9.7 1.0
CA A:PRO79 3.7 8.5 1.0
CB A:ASN65 3.9 8.5 1.0
N A:PRO79 3.9 8.6 1.0
CG A:ASN65 4.0 10.0 1.0
O A:HOH454 4.1 33.9 0.8
CD A:PRO79 4.3 10.1 1.0
O A:ASN65 4.3 7.0 1.0
CG A:PRO79 4.4 12.7 1.0
C A:ILE78 4.5 8.4 1.0
O A:ILE78 4.7 8.9 1.0
ND2 A:ASN74 4.8 10.4 1.0
C A:ASN65 4.9 6.3 1.0
CA A:ASN65 4.9 7.1 1.0

Chlorine binding site 7 out of 8 in 4htk

Go back to Chlorine Binding Sites List in 4htk
Chlorine binding site 7 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:27.3
occ:1.00
 N A:ASN74 3.1 11.0 1.0
NE A:ARG73 3.2 15.6 1.0
CB A:ARG73 3.7 11.9 1.0
C A:ASN74 3.7 10.1 1.0
O A:ASN74 3.8 10.7 1.0
O A:HOH431 3.8 32.9 0.9
CD A:ARG73 3.9 14.6 1.0
CA A:ASN74 3.9 9.8 1.0
CA A:ARG73 3.9 11.9 1.0
C A:ARG73 4.0 10.9 1.0
CD2 A:LEU75 4.1 16.6 1.0
CZ A:ARG73 4.2 14.7 1.0
CB A:ASN74 4.2 9.9 1.0
N A:LEU75 4.3 10.0 1.0
NH2 A:ARG73 4.3 16.7 1.0
CG A:ARG73 4.4 13.2 1.0
CA A:LEU75 4.7 11.4 1.0
CG A:LEU75 4.8 13.6 1.0

Chlorine binding site 8 out of 8 in 4htk

Go back to Chlorine Binding Sites List in 4htk
Chlorine binding site 8 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 2.17 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:27.5
occ:1.00
 O A:HOH443 2.5 27.8 0.8
NH1 A:ARG68 2.7 8.6 0.6
NH1 A:ARG68 3.1 8.6 0.4
CD A:ARG68 3.5 8.4 0.6
CD A:ARG68 3.8 7.6 0.4
CZ A:ARG68 3.8 7.0 0.6
CZ A:ARG68 4.1 7.7 0.4
NE A:ARG68 4.1 7.5 0.6
NE A:ARG68 4.4 7.3 0.4
NH1 A:ARG45 4.8 13.8 0.5
CG A:ARG68 4.9 9.3 0.6
CG A:ARG68 4.9 8.5 0.4
NH2 A:ARG68 5.0 6.7 0.6

Reference:

Y.Z.Finfrock, E.A.Stern, R.W.Alkire, J.J.Kas, K.Evans-Lutterodt, A.Stein, N.Duke, K.Lazarski, A.Joachimiak. Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometre Line Focusing. Acta Crystallogr.,Sect.D V. 69 1463 2013.
ISSN: ISSN 0907-4449
PubMed: 23897469
DOI: 10.1107/S0907444913009335
Page generated: Sun Jul 21 16:04:22 2024

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