Atomistry » Chlorine » PDB 2vvc-2w26 » 2w0d
Atomistry »
  Chlorine »
    PDB 2vvc-2w26 »
      2w0d »

Chlorine in PDB 2w0d: Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.

Enzymatic activity of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.

All present enzymatic activity of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.:
3.4.24.65;

Protein crystallography data

The structure of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases., PDB code: 2w0d was solved by J.Isaksson, S.Nystrom, D.J.Derbyshire, H.Wallberg, T.Agback, H.Kovacs, I.Bertini, I.C.Felli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.71 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.160, 99.939, 79.423, 90.00, 96.59, 90.00
R / Rfree (%) 17.9 / 23.7

Other elements in 2w0d:

The structure of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. also contains other interesting chemical elements:

Zinc (Zn) 10 atoms
Calcium (Ca) 12 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. (pdb code 2w0d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases., PDB code: 2w0d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2w0d

Go back to Chlorine Binding Sites List in 2w0d
Chlorine binding site 1 out of 2 in the Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1271

b:2.0
occ:1.00
N C:PHE171 3.1 4.6 1.0
O C:HOH2060 3.2 2.0 1.0
N C:GLY169 3.4 4.8 1.0
CA C:PHE171 3.5 4.7 1.0
N C:ASP170 3.7 4.2 1.0
N C:HIS168 3.8 4.9 1.0
CB C:ALA167 3.8 5.2 1.0
CA C:GLY169 3.8 4.8 1.0
C C:GLY169 4.0 4.8 1.0
CD1 C:PHE171 4.0 6.4 1.0
CA C:ALA167 4.2 4.9 1.0
C C:ALA167 4.3 4.9 1.0
C C:ASP170 4.3 4.4 1.0
C C:PHE171 4.4 5.0 1.0
C C:HIS168 4.5 5.0 1.0
N C:HIS172 4.5 4.6 1.0
CA C:ASP170 4.6 4.3 1.0
CB C:PHE171 4.7 5.4 1.0
CA C:HIS168 4.7 4.8 1.0
CG C:PHE171 4.8 5.9 1.0
CE1 C:PHE171 4.8 6.6 1.0
O C:GLY169 4.8 4.9 1.0
OD2 C:ASP170 4.8 2.9 1.0

Chlorine binding site 2 out of 2 in 2w0d

Go back to Chlorine Binding Sites List in 2w0d
Chlorine binding site 2 out of 2 in the Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1269

b:2.0
occ:1.00
O D:HOH2116 3.2 11.2 1.0
N D:GLY208 3.3 5.5 1.0
N D:HIS206 3.3 4.9 1.0
CB D:HIS206 3.5 4.8 1.0
C D:HIS206 3.5 5.0 1.0
CA D:HIS206 3.6 5.2 1.0
CB D:THR204 3.6 4.8 1.0
N D:SER207 3.7 5.3 1.0
CA D:GLY208 3.8 5.8 1.0
OG1 D:THR204 4.0 4.0 1.0
O D:HIS206 4.0 4.7 1.0
OG1 D:THR205 4.1 4.8 1.0
CG2 D:THR204 4.2 3.3 1.0
N D:THR205 4.2 4.4 1.0
C D:SER207 4.3 5.9 1.0
C D:THR205 4.5 4.9 1.0
CA D:SER207 4.6 5.5 1.0
CG D:HIS206 4.6 5.7 1.0
CA D:THR204 4.7 4.7 1.0
C D:THR204 4.7 4.8 1.0
CA D:THR205 4.8 4.5 1.0
CD2 D:HIS206 4.8 7.1 1.0
C D:GLY208 5.0 6.1 1.0

Reference:

J.Isaksson, S.Nystrom, D.J.Derbyshire, H.Wallberg, T.Agback, H.Kovacs, I.Bertini, I.C.Felli. Does A Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases. J.Med.Chem. V. 52 1712 2009.
ISSN: ISSN 0022-2623
PubMed: 19239231
DOI: 10.1021/JM801388Q
Page generated: Fri Jul 11 01:08:14 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy