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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: Fri Jul 26 10:22:04 2024

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