Atomistry » Chlorine » PDB 2a72-2aiq » 2a7d
Atomistry »
  Chlorine »
    PDB 2a72-2aiq »
      2a7d »

Chlorine in PDB 2a7d: On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength

Enzymatic activity of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength

All present enzymatic activity of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength:
3.2.1.17;

Protein crystallography data

The structure of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength, PDB code: 2a7d was solved by C.Mueller-Dieckmann, S.Panjikar, P.A.Tucker, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.66
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.050, 77.050, 37.210, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 20.2

Other elements in 2a7d:

The structure of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength also contains other interesting chemical elements:

Xenon (Xe) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength (pdb code 2a7d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength, PDB code: 2a7d:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 1 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl200

b:17.4
occ:0.68
 OH A:TYR23 3.0 16.3 1.0
O A:HOH371 3.0 48.1 1.0
O A:HOH317 3.3 21.1 1.0
CZ A:TYR23 3.6 16.1 1.0
CE2 A:TYR23 3.7 16.2 1.0
CA A:GLY104 4.2 17.3 1.0
O A:ARG21 4.5 19.1 1.0
CE1 A:TYR23 4.8 14.4 1.0
N A:GLY104 4.8 17.2 1.0
CD2 A:TYR23 5.0 13.8 1.0

Chlorine binding site 2 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 2 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:17.1
occ:0.58
 OG A:SER24 3.0 22.1 1.0
N A:GLY26 3.1 16.8 1.0
CA A:GLY26 3.4 15.7 1.0
CB A:SER24 3.5 18.9 1.0
CA A:GLN121 3.6 24.4 1.0
CD1 A:ILE124 3.7 34.6 1.0
N A:GLN121 3.9 24.2 1.0
CB A:GLN121 4.1 26.2 1.0
N A:LEU25 4.2 17.1 1.0
CG1 A:ILE124 4.2 26.9 1.0
CG2 A:VAL120 4.2 23.9 1.0
C A:SER24 4.2 17.5 1.0
C A:LEU25 4.2 16.2 1.0
C A:VAL120 4.2 22.8 1.0
CG A:GLN121 4.3 33.2 1.0
O A:VAL120 4.3 23.2 1.0
CA A:SER24 4.5 17.3 1.0
C A:GLY26 4.5 15.5 1.0
N A:ASN27 4.6 15.7 1.0
O A:SER24 4.6 17.6 1.0
CA A:LEU25 4.6 16.5 1.0
C A:GLN121 4.9 22.7 1.0
CB A:LEU25 5.0 18.0 1.0

Chlorine binding site 3 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 3 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:16.3
occ:0.52
 O A:HOH361 3.0 39.1 1.0
O A:HOH304 3.0 17.1 1.0
N A:THR69 3.1 20.7 1.0
O A:THR69 3.3 20.7 1.0
O A:HOH389 3.3 32.3 1.0
N A:ARG68 3.5 21.0 1.0
C A:THR69 3.6 22.1 1.0
C A:GLY67 3.6 22.1 1.0
OD1 A:ASN65 3.6 19.7 1.0
CA A:GLY67 3.7 19.3 1.0
N A:GLY67 3.7 18.3 1.0
CA A:THR69 3.8 22.3 1.0
O A:HOH326 4.0 20.6 1.0
C A:ARG68 4.1 22.4 1.0
CB A:SER72 4.1 27.2 1.0
CB A:THR69 4.2 21.9 1.0
CA A:ARG68 4.2 22.2 1.0
OD1 A:ASP66 4.2 16.1 1.0
O A:GLY67 4.2 24.3 1.0
N A:PRO70 4.3 25.3 1.0
OG A:SER72 4.6 40.3 1.0
NA A:NA208 4.7 18.8 1.0
OG1 A:THR69 4.7 19.5 1.0
C A:ASP66 4.7 17.2 1.0
CG A:ASN65 4.8 20.1 1.0
N A:ASP66 4.8 15.7 1.0
CA A:PRO70 4.9 27.8 1.0
O A:HOH330 4.9 20.8 0.5

Chlorine binding site 4 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 4 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:

Chlorine binding site 5 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 5 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:22.3
occ:0.37
 O A:HOH384 3.2 37.0 1.0
CE2 A:PHE38 3.6 20.4 1.0
NZ A:LYS33 3.8 32.2 1.0
CZ3 A:TRP123 4.0 24.1 1.0
CD A:ARG5 4.1 28.6 1.0
CE A:LYS33 4.2 28.1 1.0
CB A:ARG5 4.2 22.4 1.0
CD A:LYS33 4.3 21.7 1.0
CZ A:PHE38 4.4 17.4 1.0
NE A:ARG5 4.5 30.7 1.0
CD2 A:PHE38 4.6 20.3 1.0
CG A:ARG5 4.6 23.7 1.0
CE3 A:TRP123 4.8 22.2 1.0
CH2 A:TRP123 4.9 26.5 1.0

Chlorine binding site 6 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 6 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:14.0
occ:0.34
 ND2 A:ASN65 2.9 27.8 1.0
CA A:GLY67 3.4 19.3 1.0
N A:GLY67 3.8 18.3 1.0
CG A:ASN65 3.9 20.1 1.0
OD1 A:ASN65 4.1 19.7 1.0
C A:ASP66 4.5 17.2 1.0
O A:HOH382 4.7 40.3 1.0
C A:GLY67 4.8 22.1 1.0
O A:ASP66 4.8 18.9 1.0

Chlorine binding site 7 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 7 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:19.3
occ:0.31
 N A:ASN74 3.0 20.7 1.0
NE A:ARG73 3.4 58.0 1.0
CB A:ARG73 3.5 25.3 1.0
C A:ASN74 3.6 18.4 1.0
O A:ASN74 3.7 20.3 1.0
CA A:ARG73 3.8 24.1 1.0
CA A:ASN74 3.8 19.4 1.0
CD2 A:LEU75 3.9 28.6 1.0
C A:ARG73 3.9 22.3 1.0
N A:LEU75 4.0 20.0 1.0
NH2 A:ARG73 4.1 65.5 1.0
CZ A:ARG73 4.1 65.1 1.0
CD A:ARG73 4.1 47.3 1.0
CB A:ASN74 4.3 18.5 1.0
CA A:LEU75 4.4 21.6 1.0
CG A:ARG73 4.4 30.8 1.0
CG A:LEU75 4.5 23.2 1.0

Chlorine binding site 8 out of 8 in 2a7d

Go back to Chlorine Binding Sites List in 2a7d
Chlorine binding site 8 out of 8 in the On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- the Optimal Data Collection Wavelength within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:18.2
occ:0.28
 O A:HOH322 1.8 27.1 1.0
NE1 A:TRP108 3.5 16.9 1.0
CE2 A:TRP108 3.7 15.2 1.0
CD1 A:TRP108 3.8 14.5 1.0
O A:ALA107 3.9 20.1 1.0
O A:GLN57 4.0 16.9 1.0
O A:HOH338 4.0 34.5 1.0
CD1 A:ILE98 4.1 17.1 1.0
CD2 A:TRP108 4.2 15.5 1.0
CG A:TRP108 4.2 16.2 1.0
CZ2 A:TRP108 4.3 16.6 1.0
C A:ALA107 4.3 19.1 1.0
CA A:ILE58 4.4 15.0 1.0
CG2 A:ILE98 4.4 18.1 1.0
CB A:ALA107 4.5 17.9 1.0
O A:HOH350 4.5 31.5 1.0
O A:LEU56 4.6 16.1 1.0
N A:ASN59 4.6 16.1 1.0
N A:TRP108 4.7 17.2 1.0
C A:GLN57 4.7 14.7 1.0
CA A:TRP108 4.7 16.1 1.0
CG1 A:ILE58 4.7 18.7 1.0
NE1 A:TRP63 4.8 19.5 1.0
N A:ILE58 4.9 14.4 1.0

Reference:

C.Mueller-Dieckmann, S.Panjikar, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part III. the Optimal Data-Collection Wavelength. Acta Crystallogr.,Sect.D V. 61 1263 2005.
ISSN: ISSN 0907-4449
PubMed: 16131760
DOI: 10.1107/S0907444905021475
Page generated: Sat Dec 12 08:58:20 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy