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Chlorine in PDB 4q3k: Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library

Protein crystallography data

The structure of Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library, PDB code: 4q3k was solved by P.J.Stogios, X.Xu, H.Cui, M.Alcaide, M.Ferrer, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.30 / 1.57
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.991, 82.716, 77.377, 90.00, 109.32, 90.00
R / Rfree (%) 14.6 / 18.6

Other elements in 4q3k:

The structure of Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library (pdb code 4q3k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library, PDB code: 4q3k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4q3k

Go back to Chlorine Binding Sites List in 4q3k
Chlorine binding site 1 out of 2 in the Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:36.8
occ:0.94
N A:ASP170 3.1 30.5 1.0
N A:HIS201 3.3 24.2 1.0
CB A:HIS201 3.7 24.7 1.0
CB A:VAL200 3.8 30.2 1.0
CB A:ASP170 3.9 44.3 1.0
CG A:LEU171 3.9 28.5 0.5
N A:LEU171 3.9 29.5 1.0
CA A:ASP170 3.9 34.4 1.0
CA A:VAL200 3.9 26.6 1.0
O A:HOH588 4.0 52.8 1.0
CA A:ASP169 4.1 23.2 1.0
C A:ASP169 4.1 28.0 1.0
O A:GLU168 4.1 31.2 1.0
C A:VAL200 4.1 23.3 1.0
CA A:HIS201 4.1 20.5 1.0
CG1 A:VAL200 4.2 30.9 1.0
OD1 A:ASP169 4.3 24.1 1.0
C A:ASP170 4.3 33.6 1.0
CD2 A:LEU171 4.4 28.6 0.5
O A:HOH487 4.5 42.1 1.0
CD1 A:LEU171 4.6 31.0 0.5
CB A:LEU171 4.7 28.0 0.5
CB A:LEU171 4.7 28.6 0.5
CG A:ASP170 4.8 55.3 1.0
CG A:ASP169 4.8 20.3 1.0
CA A:LEU171 4.9 29.5 0.5
CA A:LEU171 4.9 29.4 0.5
C A:GLU168 4.9 27.6 1.0
N A:ASP169 5.0 23.4 1.0

Chlorine binding site 2 out of 2 in 4q3k

Go back to Chlorine Binding Sites List in 4q3k
Chlorine binding site 2 out of 2 in the Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mgs-M1, An Alpha/Beta Hydrolase Enzyme From A Medee Basin Deep-Sea Metagenome Library within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:33.8
occ:0.93
N B:ASP170 3.1 28.0 1.0
N B:HIS201 3.2 23.8 1.0
O B:HOH584 3.2 43.9 1.0
CD1 B:LEU171 3.4 39.2 0.5
CB B:HIS201 3.6 23.8 1.0
CB B:VAL200 3.8 27.2 1.0
CB B:ASP170 3.8 40.2 1.0
CA B:ASP170 3.8 33.1 1.0
N B:LEU171 3.9 27.5 1.0
CA B:VAL200 4.0 23.6 1.0
CA B:HIS201 4.0 24.3 1.0
C B:ASP169 4.0 26.7 1.0
CA B:ASP169 4.1 22.7 1.0
C B:VAL200 4.1 22.4 1.0
O B:GLU168 4.1 30.0 1.0
OD1 B:ASP169 4.1 24.0 1.0
C B:ASP170 4.2 31.8 1.0
CG1 B:VAL200 4.3 32.7 1.0
CG B:LEU171 4.4 33.4 0.5
CB B:LEU171 4.6 27.4 0.5
CB B:LEU171 4.6 27.5 0.5
O B:HOH496 4.7 39.3 1.0
CG B:ASP170 4.7 49.0 1.0
CD2 B:LEU171 4.7 31.4 0.5
CG B:ASP169 4.8 23.2 1.0
CA B:LEU171 4.8 26.2 0.5
CA B:LEU171 4.9 26.3 0.5
OD2 B:ASP170 4.9 54.0 1.0
CG B:HIS201 4.9 24.4 1.0
C B:GLU168 5.0 26.2 1.0
CG2 B:VAL200 5.0 28.6 1.0

Reference:

M.Alcaide, P.J.Stogios, A.Lafraya, A.Tchigvintsev, R.Flick, R.Bargiela, T.N.Chernikova, O.N.Reva, T.Hai, C.C.Leggewie, N.Katzke, V.La Cono, R.Matesanz, M.Jebbar, K.E.Jaeger, M.M.Yakimov, A.F.Yakunin, P.N.Golyshin, O.V.Golyshina, A.Savchenko, M.Ferrer. Pressure Adaptation Is Linked to Thermal Adaptation in Salt-Saturated Marine Habitats. Environ Microbiol 2014.
PubMed: 25330254
DOI: 10.1111/1462-2920.12660
Page generated: Sat Dec 12 11:04:33 2020

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