Atomistry » Chlorine » PDB 3th3-3tnm » 3tmx
Atomistry »
  Chlorine »
    PDB 3th3-3tnm »
      3tmx »

Chlorine in PDB 3tmx: X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)

Enzymatic activity of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)

All present enzymatic activity of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY):
3.2.1.17;

Protein crystallography data

The structure of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY), PDB code: 3tmx was solved by J.Kmetko, M.A.Warkentin, U.Englich, R.E.Thorne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.04 / 1.90
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.678, 79.678, 37.655, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 21

Other elements in 3tmx:

The structure of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) (pdb code 3tmx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY), PDB code: 3tmx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 1 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:13.2
occ:1.00
OH A:TYR23 3.1 8.3 1.0
O A:HOH2031 3.3 11.3 1.0
CZ A:TYR23 3.8 7.5 1.0
CE2 A:TYR23 3.8 5.6 1.0
CA A:GLY104 4.2 9.3 1.0
O A:ARG21 4.7 9.5 1.0
N A:GLY104 4.8 10.1 1.0
O A:HOH2168 4.9 39.6 1.0
CE1 A:TYR23 5.0 5.6 1.0

Chlorine binding site 2 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 2 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1131

b:21.6
occ:1.00
O A:HOH2150 2.9 39.4 1.0
OG A:SER24 3.1 14.1 1.0
N A:GLY26 3.2 9.5 1.0
CA A:GLY26 3.5 10.4 1.0
CB A:SER24 3.5 12.3 1.0
CA A:GLN121 3.7 14.5 1.0
CD1 A:ILE124 3.7 20.0 1.0
N A:GLN121 4.0 12.6 1.0
CB A:GLN121 4.2 17.0 1.0
CG1 A:ILE124 4.3 14.2 1.0
CG A:GLN121 4.3 23.9 1.0
C A:VAL120 4.3 12.6 1.0
O A:VAL120 4.4 12.6 1.0
C A:LEU25 4.4 10.2 1.0
N A:LEU25 4.4 10.4 1.0
C A:SER24 4.5 11.3 1.0
CG2 A:VAL120 4.5 13.1 1.0
C A:GLY26 4.6 9.9 1.0
CA A:SER24 4.6 10.9 1.0
N A:ASN27 4.7 7.9 1.0
CA A:LEU25 4.8 10.4 1.0
C A:GLN121 4.8 13.0 1.0
O A:SER24 4.9 10.9 1.0

Chlorine binding site 3 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 3 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1132

b:23.5
occ:1.00
O A:HOH2078 2.9 31.9 1.0
O A:HOH2076 3.1 10.3 1.0
N A:THR69 3.2 15.5 1.0
O A:THR69 3.4 17.3 1.0
O A:HOH2184 3.4 34.5 1.0
O A:HOH2075 3.4 32.7 1.0
N A:ARG68 3.6 11.8 1.0
OD1 A:ASN65 3.6 17.5 1.0
C A:THR69 3.7 18.9 1.0
C A:GLY67 3.7 13.7 1.0
CA A:GLY67 3.8 12.7 1.0
OG A:SER72 3.8 25.3 1.0
N A:GLY67 3.8 11.3 1.0
CA A:THR69 3.8 17.2 1.0
O A:HOH2079 4.0 32.6 1.0
O A:HOH2081 4.1 14.3 1.0
C A:ARG68 4.2 14.7 1.0
CB A:THR69 4.2 18.4 1.0
CA A:ARG68 4.3 13.0 1.0
OD1 A:ASP66 4.3 9.9 1.0
O A:GLY67 4.4 14.0 1.0
N A:PRO70 4.6 20.8 1.0
NA A:NA1138 4.8 18.5 1.0
OG1 A:THR69 4.8 14.3 1.0
CG A:ASN65 4.8 10.8 1.0
C A:ASP66 4.9 11.7 1.0
N A:ASP66 5.0 8.6 1.0
CB A:SER72 5.0 24.3 1.0

Chlorine binding site 4 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 4 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1133

b:32.4
occ:1.00
N A:ILE88 3.3 14.6 1.0
O A:HOH2096 3.4 20.4 1.0
O A:HOH2018 3.7 48.0 1.0
CG1 A:ILE88 3.8 13.7 1.0
CA A:ASP87 3.8 16.5 1.0
CE1 A:HIS15 3.9 22.4 1.0
O A:HOH2099 4.0 37.8 1.0
C A:ASP87 4.1 14.0 1.0
O A:SER86 4.1 16.3 1.0
OD1 A:ASP87 4.2 19.5 1.0
CB A:ILE88 4.3 12.5 1.0
CA A:ILE88 4.3 13.4 1.0
CB A:ALA11 4.3 13.2 1.0
CG A:ASP87 4.3 24.9 1.0
CZ A:PHE3 4.4 13.6 1.0
CG2 A:ILE88 4.4 13.6 1.0
CB A:ASP87 4.7 16.8 1.0
ND1 A:HIS15 4.7 22.2 1.0
CD1 A:ILE88 4.7 11.1 1.0
OD2 A:ASP87 4.8 31.0 1.0
NE2 A:HIS15 4.8 24.3 1.0
N A:ASP87 4.9 15.4 1.0
C A:SER86 4.9 16.1 1.0
NH1 A:ARG14 5.0 41.1 1.0

Chlorine binding site 5 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 5 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1134

b:31.9
occ:1.00
O A:HOH2190 3.7 36.9 1.0
CE2 A:PHE38 3.7 16.4 1.0
O A:HOH2180 3.8 43.9 1.0
NZ A:LYS33 3.9 18.2 1.0
CZ3 A:TRP123 4.0 14.1 1.0
O A:HOH2008 4.1 41.7 1.0
CD A:ARG5 4.3 19.3 1.0
CE A:LYS33 4.3 19.0 1.0
CD A:LYS33 4.4 11.1 1.0
CZ A:PHE38 4.5 9.3 1.0
CB A:ARG5 4.5 14.8 1.0
O A:HOH2143 4.5 35.1 1.0
CD2 A:PHE38 4.7 11.3 1.0
CG A:ARG5 4.8 14.7 1.0
CH2 A:TRP123 4.9 14.8 1.0
NE A:ARG5 4.9 22.2 1.0
CE3 A:TRP123 4.9 13.6 1.0

Chlorine binding site 6 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 6 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1135

b:34.6
occ:1.00
O A:HOH2084 2.9 24.0 1.0
O A:HOH2158 3.1 51.3 1.0
ND2 A:ASN65 3.5 17.9 1.0
CB A:PRO79 3.7 11.6 1.0
CA A:PRO79 3.8 11.4 1.0
CB A:ASN65 4.0 7.8 1.0
N A:PRO79 4.0 11.3 1.0
CG A:ASN65 4.2 10.8 1.0
CD A:PRO79 4.3 12.8 1.0
CG A:PRO79 4.3 13.6 1.0
O A:ASN65 4.4 9.0 1.0
C A:ILE78 4.5 11.7 1.0
O A:ILE78 4.7 11.3 1.0
ND2 A:ASN74 4.9 15.5 1.0

Chlorine binding site 7 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 7 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1136

b:43.0
occ:1.00
O A:HOH2174 2.9 39.3 1.0
N A:ASN74 3.1 14.2 1.0
NE A:ARG73 3.2 34.1 1.0
C A:ASN74 3.7 13.3 1.0
O A:ASN74 3.7 13.7 1.0
CB A:ARG73 3.9 19.1 1.0
CA A:ASN74 3.9 12.9 1.0
CA A:ARG73 3.9 18.5 1.0
C A:ARG73 4.0 17.7 1.0
NH2 A:ARG73 4.0 36.2 1.0
CD A:ARG73 4.1 27.4 1.0
CZ A:ARG73 4.1 35.1 1.0
CD2 A:LEU75 4.1 19.9 1.0
N A:LEU75 4.2 13.0 1.0
CB A:ASN74 4.3 13.9 1.0
CG A:ARG73 4.6 23.8 1.0
CA A:LEU75 4.6 14.6 1.0
CG A:LEU75 4.8 16.6 1.0
O A:HOH2163 4.9 36.2 1.0

Chlorine binding site 8 out of 8 in 3tmx

Go back to Chlorine Binding Sites List in 3tmx
Chlorine binding site 8 out of 8 in the X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Radiation Damage to Hewl Crystals Soaked in 100MM Sodium Nitrate (Dose=1.9MGY) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1137

b:44.2
occ:1.00
NH1 A:ARG68 2.8 22.3 1.0
CD A:ARG68 3.5 16.4 1.0
CZ A:ARG68 3.8 23.9 1.0
NE A:ARG68 4.1 20.1 1.0
CG A:ARG68 4.8 12.2 1.0
NH1 A:ARG45 4.8 35.2 1.0
CB A:ARG68 5.0 13.1 1.0
NH2 A:ARG68 5.0 13.5 1.0

Reference:

J.Kmetko, M.Warkentin, U.Englich, R.E.Thorne. Can Radiation Damage to Protein Crystals Be Reduced Using Small-Molecule Compounds? Acta Crystallogr.,Sect.D V. 67 881 2011.
ISSN: ISSN 0907-4449
PubMed: 21931220
DOI: 10.1107/S0907444911032835
Page generated: Sat Dec 12 10:12:41 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy