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Chlorine in PDB 4htn: Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 X 10E+12 X-Ray Photons

Enzymatic activity of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 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 1.32 X 10E+12 X-Ray Photons, PDB code: 4htn 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) 27.92 / 1.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.958, 78.958, 36.881, 90.00, 90.00, 90.00
R / Rfree (%) 12.7 / 15.8

Other elements in 4htn:

The structure of Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons (pdb code 4htn). 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 1.32 X 10E+12 X-Ray Photons, PDB code: 4htn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4htn

Go back to Chlorine Binding Sites List in 4htn
Chlorine binding site 1 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:9.2
occ:1.00
 OH A:TYR23 3.0 6.5 1.0
O A:HOH310 3.2 8.9 0.9
CZ A:TYR23 3.7 6.0 1.0
CE2 A:TYR23 3.7 5.9 1.0
CA A:GLY104 4.1 6.9 1.0
O A:ARG21 4.6 9.0 1.0
N A:GLY104 4.6 6.8 1.0
CE1 A:TYR23 4.9 5.7 1.0
CD2 A:TYR23 4.9 6.0 1.0

Chlorine binding site 2 out of 8 in 4htn

Go back to Chlorine Binding Sites List in 4htn
Chlorine binding site 2 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:13.2
occ:1.00
 O A:HOH410 2.9 32.2 1.0
OG A:SER24 3.1 10.5 1.0
N A:GLY26 3.1 6.8 1.0
CA A:GLY26 3.5 6.6 1.0
CB A:SER24 3.5 8.8 1.0
CA A:GLN121 3.6 11.7 1.0
CD1 A:ILE124 3.8 13.8 0.6
N A:GLN121 3.9 10.1 1.0
CB A:GLN121 3.9 16.4 1.0
CG1 A:ILE124 4.0 10.9 0.4
CG A:GLN121 4.1 20.9 1.0
N A:LEU25 4.2 8.0 1.0
CG2 A:VAL120 4.2 10.1 1.0
O A:VAL120 4.2 8.9 1.0
C A:VAL120 4.2 8.9 1.0
CG1 A:ILE124 4.3 13.3 0.6
C A:LEU25 4.3 7.0 1.0
C A:SER24 4.4 7.8 1.0
CD1 A:ILE124 4.5 12.0 0.4
C A:GLY26 4.5 5.7 1.0
CA A:SER24 4.6 7.2 1.0
N A:ASN27 4.6 5.7 1.0
CA A:LEU25 4.8 8.0 1.0
C A:GLN121 4.8 9.5 1.0
O A:SER24 4.9 8.3 1.0
CG2 A:ILE124 5.0 13.1 0.6
O A:HOH389 5.0 26.4 0.9

Chlorine binding site 3 out of 8 in 4htn

Go back to Chlorine Binding Sites List in 4htn
Chlorine binding site 3 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:12.7
occ:1.00
 N A:THR69 3.1 8.4 1.0
O A:HOH304 3.1 8.5 1.0
O A:HOH375 3.1 25.6 1.0
O A:THR69 3.3 10.7 1.0
O A:HOH434 3.4 21.8 1.0
N A:ARG68 3.5 9.0 1.0
C A:GLY67 3.5 9.0 1.0
C A:THR69 3.6 9.6 1.0
CA A:GLY67 3.6 9.2 1.0
O A:HOH384 3.6 27.1 1.0
N A:GLY67 3.6 7.9 1.0
OG A:SER72 3.7 13.3 1.0
OD1 A:ASN65 3.7 10.4 1.0
CA A:THR69 3.8 8.2 1.0
O A:HOH320 4.0 13.3 1.0
O A:GLY67 4.1 11.1 1.0
C A:ARG68 4.1 10.3 1.0
CB A:THR69 4.2 8.0 1.0
OD1 A:ASP66 4.2 6.5 1.0
CA A:ARG68 4.2 9.4 0.6
CA A:ARG68 4.3 9.1 0.4
N A:PRO70 4.5 10.4 1.0
NA A:NA209 4.7 10.7 1.0
C A:ASP66 4.7 6.8 1.0
O A:HOH323 4.8 15.6 0.6
OG1 A:THR69 4.8 8.1 1.0
N A:ASP66 4.9 6.8 1.0
CB A:SER72 4.9 13.3 1.0
CG A:ASN65 5.0 10.2 1.0
CA A:PRO70 5.0 11.2 1.0

Chlorine binding site 4 out of 8 in 4htn

Go back to Chlorine Binding Sites List in 4htn
Chlorine binding site 4 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:21.2
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 22.6 1.0
CG1 A:ILE88 3.6 9.8 1.0
CE1 A:HIS15 3.7 17.7 1.0
NE2 A:HIS15 3.7 13.6 0.0
CA A:ASP87 3.8 11.4 1.0
C A:ASP87 4.0 9.5 1.0
O A:SER86 4.1 13.5 1.0
OD1 A:ASP87 4.1 16.1 1.0
CB A:ALA11 4.2 9.6 1.0
CB A:ILE88 4.2 9.3 1.0
CA A:ILE88 4.3 8.5 1.0
CG2 A:ILE88 4.3 10.3 1.0
CZ A:PHE3 4.3 10.8 1.0
O A:HOH427 4.4 31.7 0.9
CG A:ASP87 4.4 18.6 1.0
NE2 A:HIS15 4.5 19.1 1.0
CD2 A:HIS15 4.5 13.2 0.0
ND1 A:HIS15 4.6 17.0 1.0
CD1 A:ILE88 4.6 10.0 1.0
CB A:ASP87 4.6 15.0 1.0
CE1 A:HIS15 4.6 13.0 0.0
N A:ASP87 4.8 10.5 1.0
CE2 A:PHE3 4.8 10.1 1.0
C A:SER86 4.9 11.2 1.0
N A:THR89 5.0 8.3 1.0

Chlorine binding site 5 out of 8 in 4htn

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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 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:20.2
occ:1.00
 O A:HOH440 3.5 32.0 0.9
NZ A:LYS33 3.6 15.3 1.0
CE2 A:PHE38 3.7 8.3 1.0
CZ3 A:TRP123 3.9 10.9 1.0
CE A:LYS33 4.1 13.6 1.0
CD A:ARG5 4.1 14.3 1.0
O A:HOH437 4.2 34.3 0.9
CD A:LYS33 4.2 10.8 1.0
CZ A:PHE38 4.3 7.8 1.0
O A:HOH408 4.3 25.9 1.0
CB A:ARG5 4.3 13.8 1.0
CD2 A:PHE38 4.6 7.3 1.0
CG A:ARG5 4.6 13.1 1.0
CE3 A:TRP123 4.7 9.9 1.0
C2 A:EDO211 4.7 28.7 0.9
NE A:ARG5 4.7 14.7 1.0
CH2 A:TRP123 4.8 11.9 1.0

Chlorine binding site 6 out of 8 in 4htn

Go back to Chlorine Binding Sites List in 4htn
Chlorine binding site 6 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:20.4
occ:1.00
 O A:HOH356 3.1 18.8 1.0
ND2 A:ASN65 3.2 12.1 1.0
CB A:PRO79 3.7 9.3 1.0
CA A:PRO79 3.7 8.2 1.0
CB A:ASN65 3.8 8.8 1.0
N A:PRO79 3.9 8.9 1.0
CG A:ASN65 4.0 10.2 1.0
O A:HOH454 4.1 33.9 0.9
CD A:PRO79 4.3 10.4 1.0
O A:ASN65 4.3 6.9 1.0
CG A:PRO79 4.5 12.4 1.0
C A:ILE78 4.5 8.9 1.0
O A:ILE78 4.7 9.1 1.0
ND2 A:ASN74 4.9 10.9 1.0
CA A:ASN65 4.9 7.4 1.0
C A:ASN65 4.9 6.7 1.0

Chlorine binding site 7 out of 8 in 4htn

Go back to Chlorine Binding Sites List in 4htn
Chlorine binding site 7 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:29.7
occ:1.00
 N A:ASN74 3.1 11.5 1.0
NE A:ARG73 3.2 16.3 1.0
CB A:ARG73 3.7 13.0 1.0
C A:ASN74 3.7 11.2 1.0
O A:HOH431 3.8 33.2 0.9
O A:ASN74 3.8 11.2 1.0
CA A:ASN74 3.9 10.5 1.0
CA A:ARG73 3.9 13.0 1.0
CD A:ARG73 3.9 15.6 1.0
C A:ARG73 4.0 11.8 1.0
CD2 A:LEU75 4.1 15.8 1.0
CZ A:ARG73 4.2 16.4 1.0
N A:LEU75 4.2 10.3 1.0
CB A:ASN74 4.2 9.8 1.0
NH2 A:ARG73 4.3 17.2 1.0
CG A:ARG73 4.4 14.2 1.0
CA A:LEU75 4.7 12.0 1.0
CG A:LEU75 4.8 13.7 1.0

Chlorine binding site 8 out of 8 in 4htn

Go back to Chlorine Binding Sites List in 4htn
Chlorine binding site 8 out of 8 in the Mitigation of X-Ray Damage in Macromolecular Crystallography By Submicrometer Line Focusing; Total Dose 1.32 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 1.32 X 10E+12 X-Ray Photons within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:29.1
occ:1.00
 O A:HOH443 2.5 27.8 0.8
NH1 A:ARG68 2.7 7.5 0.6
NH1 A:ARG68 3.0 9.2 0.4
CD A:ARG68 3.6 8.6 0.6
CZ A:ARG68 3.8 6.3 0.6
CD A:ARG68 3.8 8.0 0.4
CZ A:ARG68 4.1 8.3 0.4
NE A:ARG68 4.1 7.1 0.6
NE A:ARG68 4.4 8.1 0.4
NH1 A:ARG45 4.8 13.0 0.5
CG A:ARG68 4.9 8.8 0.6
CG A:ARG68 4.9 8.3 0.4
NH2 A:ARG68 5.0 6.6 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: Fri Jul 11 16:30:02 2025

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