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Chlorine in PDB 8c9e: Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue

Enzymatic activity of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue

All present enzymatic activity of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue:
6.1.1.5;

Protein crystallography data

The structure of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue, PDB code: 8c9e was solved by A.Brkic, M.Leibundgut, J.Jablonska, V.Zanki, Z.Car, V.Petrovic Perokovic, N.Ban, I.Gruic-Sovulj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.77 / 2.90
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 127.09, 127.09, 163.22, 90, 90, 120
R / Rfree (%) 24.2 / 26.9

Other elements in 8c9e:

The structure of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue (pdb code 8c9e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue, PDB code: 8c9e:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8c9e

Go back to Chlorine Binding Sites List in 8c9e
Chlorine binding site 1 out of 4 in the Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1008

b:126.6
occ:1.00
OD2 A:ASP501 3.0 151.3 1.0
N A:GLU498 3.7 103.0 1.0
CA A:ARG497 3.8 116.1 1.0
CG A:GLU498 3.9 129.5 1.0
CB A:ARG497 4.2 122.1 1.0
O A:GLU496 4.2 129.2 1.0
CG A:ASP501 4.2 127.1 1.0
CG A:ARG497 4.3 118.0 1.0
C A:ARG497 4.3 109.4 1.0
OE2 A:GLU498 4.4 140.2 1.0
CD A:GLU498 4.5 131.0 1.0
CB A:ASP501 4.7 89.9 1.0
CB A:GLU498 4.7 111.4 1.0
CA A:GLU498 4.8 105.3 1.0
N A:ARG497 4.8 99.0 1.0
C A:GLU496 5.0 102.0 1.0

Chlorine binding site 2 out of 4 in 8c9e

Go back to Chlorine Binding Sites List in 8c9e
Chlorine binding site 2 out of 4 in the Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1009

b:119.5
occ:1.00
CG A:LYS519 3.8 91.0 1.0
N A:ALA499 3.9 123.7 1.0
OG1 A:THR518 4.0 131.9 1.0
CE A:LYS519 4.1 106.8 1.0
CA A:GLU498 4.1 105.3 1.0
N A:LYS519 4.2 97.8 1.0
CB A:GLU498 4.3 111.4 1.0
CD A:LYS519 4.3 107.1 1.0
C A:GLU498 4.5 120.0 1.0
CA A:THR518 4.5 118.5 1.0
CB A:ALA499 4.6 125.1 1.0
CB A:LYS519 4.7 93.9 1.0
CB A:THR518 4.8 102.0 1.0
CA A:ALA499 4.8 118.5 1.0
C A:THR518 4.9 102.2 1.0

Chlorine binding site 3 out of 4 in 8c9e

Go back to Chlorine Binding Sites List in 8c9e
Chlorine binding site 3 out of 4 in the Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1014

b:146.5
occ:1.00
NE A:ARG113 3.5 103.1 1.0
CG2 A:THR106 3.8 143.5 1.0
CD A:ARG113 3.9 96.5 1.0
CG A:ARG113 4.4 117.4 1.0
NH2 A:ARG456 4.5 90.0 1.0
OG1 A:THR106 4.5 127.1 1.0
CZ A:ARG113 4.6 91.9 1.0
CB A:THR106 4.7 136.1 1.0
NH2 A:ARG113 4.8 129.3 1.0

Chlorine binding site 4 out of 4 in 8c9e

Go back to Chlorine Binding Sites List in 8c9e
Chlorine binding site 4 out of 4 in the Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Priestia Megaterium Mupirocin-Sensitive Isoleucyl-Trna Synthetase 1 Complexed with An Isoleucyl-Adenylate Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1015

b:158.8
occ:1.00
N A:THR233 3.7 132.2 1.0
OG1 A:THR233 3.8 127.3 1.0
CA A:THR232 3.9 121.4 1.0
O A:TRP231 4.2 143.2 1.0
C A:THR232 4.3 130.8 1.0
OG1 A:THR234 4.6 119.5 1.0
CB A:THR232 4.6 123.5 1.0
OG1 A:THR232 4.7 129.8 1.0
CB A:THR233 4.7 119.9 1.0
CA A:THR233 4.7 107.6 1.0
N A:THR232 4.8 119.8 1.0
C A:TRP231 4.9 127.0 1.0
CG2 A:THR233 4.9 122.0 1.0
N A:THR234 4.9 107.2 1.0
CZ3 A:TRP231 5.0 162.2 1.0

Reference:

A.Brkic, M.Leibundgut, J.Jablonska, V.Zanki, Z.Car, V.Petrovic Perokovic, N.Ban, I.Gruic-Sovulj. Antibiotic Hyper-Resistance in A Class I Aminoacyl-Trna Synthetase with Altered Active Site Signature Motif To Be Published.
Page generated: Thu Dec 28 03:08:13 2023

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