Atomistry » Chlorine » PDB 5jzs-5k9d » 5k0t
Atomistry »
  Chlorine »
    PDB 5jzs-5k9d »
      5k0t »

Chlorine in PDB 5k0t: Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415

Enzymatic activity of Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415

All present enzymatic activity of Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415:
6.1.1.10;

Protein crystallography data

The structure of Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415, PDB code: 5k0t was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 45.160, 99.650, 104.300, 110.46, 88.09, 99.72
R / Rfree (%) 25.7 / 28.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415 (pdb code 5k0t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415, PDB code: 5k0t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5k0t

Go back to Chlorine Binding Sites List in 5k0t
Chlorine binding site 1 out of 3 in the Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415


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 Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:62.7
occ:1.00
CLC A:415601 0.0 62.7 1.0
CAU A:415601 1.7 60.2 1.0
CAJ A:415601 2.7 59.8 1.0
CAI A:415601 2.7 60.4 1.0
OH A:TYR237 3.4 41.7 1.0
N A:ILE12 3.6 48.8 1.0
NE2 A:HIS269 3.6 44.8 1.0
CG1 A:ILE12 3.6 49.7 1.0
CE1 A:HIS269 3.8 45.5 1.0
CA A:ALA11 4.0 47.7 1.0
CAX A:415601 4.0 59.5 1.0
CAV A:415601 4.0 60.3 1.0
CB A:ALA11 4.1 48.6 1.0
CZ A:TYR237 4.1 41.0 1.0
ND2 A:ASN236 4.2 40.5 1.0
O A:ALA233 4.2 42.5 1.0
C A:ALA11 4.3 48.4 1.0
CD1 A:ILE12 4.5 49.8 1.0
CB A:ALA233 4.5 44.1 1.0
C A:ALA233 4.5 42.8 1.0
CAK A:415601 4.5 59.6 1.0
CB A:ILE12 4.6 49.2 1.0
CA A:ILE12 4.6 49.4 1.0
CE2 A:TYR237 4.6 41.1 1.0
O A:ILE12 4.7 51.0 1.0
CD2 A:LEU234 4.7 42.7 1.0
CE1 A:TYR237 4.8 40.5 1.0
N A:LEU234 4.9 42.5 1.0
CG2 A:ILE12 4.9 48.4 1.0
CD2 A:HIS269 4.9 44.8 1.0
CD1 A:ILE265 4.9 50.9 1.0
CA A:LEU234 4.9 42.0 1.0

Chlorine binding site 2 out of 3 in 5k0t

Go back to Chlorine Binding Sites List in 5k0t
Chlorine binding site 2 out of 3 in the Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415


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 Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:62.2
occ:1.00
CLC B:415601 0.0 62.2 1.0
CAU B:415601 1.7 58.7 1.0
CAJ B:415601 2.7 58.8 1.0
CAI B:415601 2.7 57.9 1.0
OH B:TYR237 3.4 34.7 1.0
N B:ILE12 3.5 38.0 1.0
NE2 B:HIS269 3.5 39.1 1.0
CE1 B:HIS269 3.6 39.6 1.0
CA B:ALA11 3.8 37.2 1.0
CB B:ALA11 3.8 37.5 1.0
CG1 B:ILE12 3.8 38.6 1.0
CAX B:415601 4.0 58.7 1.0
CAV B:415601 4.0 57.2 1.0
C B:ALA11 4.1 37.5 1.0
CZ B:TYR237 4.2 34.4 1.0
CAK B:415601 4.5 58.0 1.0
ND2 B:ASN236 4.5 35.3 1.0
CA B:ILE12 4.5 38.4 1.0
CD1 B:ILE265 4.5 41.6 1.0
O B:ILE12 4.6 39.5 1.0
O B:ALA233 4.6 37.9 1.0
CB B:ILE12 4.6 38.4 1.0
CD1 B:ILE12 4.7 38.8 1.0
CB B:ALA233 4.7 39.2 1.0
CE2 B:TYR237 4.8 34.4 1.0
CD2 B:HIS269 4.9 38.9 1.0
C B:ALA233 4.9 38.5 1.0
ND1 B:HIS269 4.9 39.5 1.0
CD2 B:LEU234 4.9 39.0 1.0
CE1 B:TYR237 5.0 34.4 1.0

Chlorine binding site 3 out of 3 in 5k0t

Go back to Chlorine Binding Sites List in 5k0t
Chlorine binding site 3 out of 3 in the Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Methionyl-Trna Synthetase Metrs From Brucella Melitensis in Complex with Inhibitor Chem 1415 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl601

b:65.8
occ:1.00
CLC C:415601 0.0 65.8 1.0
CAU C:415601 1.7 63.5 1.0
CAJ C:415601 2.7 62.4 1.0
CAI C:415601 2.7 63.1 1.0
OH C:TYR237 3.0 41.6 1.0
N C:ILE12 3.4 44.6 1.0
NE2 C:HIS269 3.4 42.5 1.0
CA C:ALA11 3.6 43.9 1.0
CE1 C:HIS269 3.7 43.0 1.0
CB C:ALA11 3.8 44.4 1.0
CG1 C:ILE12 3.8 44.5 1.0
CZ C:TYR237 3.8 41.4 1.0
CAX C:415601 4.0 62.4 1.0
CAV C:415601 4.0 63.1 1.0
C C:ALA11 4.0 44.6 1.0
ND2 C:ASN236 4.2 42.2 1.0
CE2 C:TYR237 4.4 41.2 1.0
CA C:ILE12 4.5 45.3 1.0
O C:ALA233 4.5 42.9 1.0
CE1 C:TYR237 4.5 41.5 1.0
CAK C:415601 4.5 62.8 1.0
CB C:ILE12 4.6 44.8 1.0
CD1 C:ILE12 4.7 44.3 1.0
CD2 C:HIS269 4.7 42.2 1.0
O C:ILE12 4.7 46.9 1.0
CD1 C:ILE265 4.8 43.4 1.0
CG2 C:ILE12 4.8 44.1 1.0
C C:ALA233 4.8 43.3 1.0
CD2 C:LEU234 4.9 42.1 1.0
N C:ALA11 4.9 43.5 1.0
CB C:ALA233 4.9 44.9 1.0
ND1 C:HIS269 5.0 43.1 1.0
O C:THR10 5.0 42.3 1.0

Reference:

K.K.Ojo, R.M.Ranade, Z.Zhang, D.M.Dranow, J.B.Myers, R.Choi, S.Nakazawa Hewitt, T.E.Edwards, D.R.Davies, D.Lorimer, S.M.Boyle, L.K.Barrett, F.S.Buckner, E.Fan, W.C.Van Voorhis. Brucella Melitensis Methionyl-Trna-Synthetase (Metrs), A Potential Drug Target For Brucellosis. Plos One V. 11 60350 2016.
ISSN: ESSN 1932-6203
PubMed: 27500735
DOI: 10.1371/JOURNAL.PONE.0160350
Page generated: Sat Jul 12 03:50:57 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