Atomistry » Chlorine » PDB 6sr3-6t4w » 6t37
Atomistry »
  Chlorine »
    PDB 6sr3-6t4w »
      6t37 »

Chlorine in PDB 6t37: Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor

Enzymatic activity of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor

All present enzymatic activity of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor:
2.7.7.24;

Protein crystallography data

The structure of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor, PDB code: 6t37 was solved by M.S.Alphey, G.Xiao, J.N.Westwood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.71 / 2.08
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 63.910, 152.570, 134.720, 90.00, 93.39, 90.00
R / Rfree (%) 21.8 / 24.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor (pdb code 6t37). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor, PDB code: 6t37:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 1 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:18.2
occ:1.00
O A:HOH482 3.1 21.3 1.0
ND1 A:HIS116 3.2 22.6 1.0
O A:HOH500 3.4 19.0 1.0
O A:HOH448 3.8 23.4 1.0
CA A:HIS116 4.0 19.5 1.0
CG A:HIS116 4.0 20.8 1.0
CB A:HIS116 4.0 20.2 1.0
CE1 A:HIS116 4.1 22.2 1.0
N A:ASP117 4.7 20.5 1.0
CBC A:M9Z301 4.8 26.8 1.0
N A:HIS116 4.9 18.2 1.0
C A:HIS116 4.9 19.2 1.0

Chlorine binding site 2 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 2 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:33.5
occ:1.00
O B:HOH435 2.9 31.4 1.0
ND1 B:HIS116 3.2 31.2 1.0
O B:HOH475 3.3 30.0 1.0
CA B:HIS116 4.0 30.5 1.0
CG B:HIS116 4.1 29.9 1.0
O B:HOH487 4.1 40.7 1.0
CB B:HIS116 4.1 29.9 1.0
O B:HOH418 4.1 28.9 1.0
CE1 B:HIS116 4.2 31.1 1.0
CBC B:M9Z301 4.6 55.0 1.0
N B:ASP117 4.6 32.2 1.0
N B:HIS116 4.9 29.9 1.0
C B:HIS116 4.9 30.1 1.0
CBK B:M9Z301 5.0 60.5 1.0

Chlorine binding site 3 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 3 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:51.7
occ:1.00
NE B:ARG286 3.0 51.9 1.0
NH2 B:ARG286 3.5 49.4 1.0
CZ B:ARG286 3.7 51.6 1.0
CA B:TYR283 3.7 36.8 1.0
N B:TYR283 3.8 39.5 1.0
O B:GLN282 3.8 43.5 1.0
C B:GLN282 3.9 40.8 1.0
CD B:ARG286 4.1 50.8 1.0
CB B:ARG286 4.1 48.4 1.0
CB B:TYR283 4.4 35.1 1.0
CB B:GLN282 4.5 42.0 1.0
CD1 B:TYR283 4.6 33.3 1.0
CG B:ARG286 4.7 49.4 1.0
O B:GLY279 4.7 39.4 1.0
CA B:GLN282 4.8 40.7 1.0
C B:TYR283 4.9 37.1 1.0
NH1 B:ARG286 5.0 51.7 1.0

Chlorine binding site 4 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 4 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:20.8
occ:1.00
O C:HOH496 3.2 23.0 1.0
ND1 C:HIS116 3.2 27.5 1.0
O C:HOH507 3.3 23.7 1.0
CA C:HIS116 3.9 23.4 1.0
O C:HOH428 4.0 22.1 1.0
CB C:HIS116 4.0 25.8 1.0
CG C:HIS116 4.1 25.5 1.0
O C:HOH529 4.2 39.2 1.0
CE1 C:HIS116 4.2 26.8 1.0
N C:ASP117 4.7 23.9 1.0
CBC C:M9Z301 4.7 29.2 1.0
N C:HIS116 4.8 20.9 1.0
O C:HOH419 4.8 46.4 1.0
C C:HIS116 4.9 24.2 1.0
CBK C:M9Z301 4.9 32.6 1.0
O C:GLY115 5.0 19.9 1.0

Chlorine binding site 5 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 5 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:32.7
occ:1.00
O A:HOH529 3.4 43.9 1.0
N C:VAL81 3.6 30.2 1.0
CG A:PRO57 3.7 27.5 1.0
CG2 C:VAL81 3.8 32.6 1.0
CA C:ALA80 3.9 26.4 1.0
CB A:PRO57 4.2 27.1 1.0
C C:ALA80 4.2 27.7 1.0
CG1 C:VAL81 4.3 30.9 1.0
CB C:ALA80 4.3 26.6 1.0
CB C:VAL81 4.4 31.4 1.0
NE2 A:GLN58 4.5 41.7 1.0
CA C:VAL81 4.6 31.5 1.0
O C:TYR79 4.7 27.4 1.0
CD A:PRO57 4.9 27.2 1.0
O C:VAL81 4.9 33.6 1.0
CB A:PRO83 4.9 40.0 1.0
CA A:PRO83 5.0 39.3 1.0

Chlorine binding site 6 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 6 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:27.7
occ:1.00
O D:HOH423 3.1 25.2 1.0
O D:HOH468 3.2 33.3 1.0
ND1 D:HIS116 3.3 31.3 1.0
O D:HOH428 3.9 25.6 1.0
CA D:HIS116 4.0 27.9 1.0
CB D:HIS116 4.2 28.6 1.0
CG D:HIS116 4.2 29.9 1.0
CE1 D:HIS116 4.3 30.8 1.0
CBC D:M9Z301 4.6 42.2 1.0
N D:ASP117 4.7 28.7 1.0
N D:HIS116 4.8 26.2 1.0
CBK D:M9Z301 4.9 46.4 1.0
C D:HIS116 4.9 27.6 1.0
O D:GLY115 4.9 24.1 1.0

Chlorine binding site 7 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 7 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:22.9
occ:1.00
O D:HOH465 2.9 44.7 1.0
NE2 D:GLN26 3.2 24.9 1.0
O D:HOH408 3.4 31.1 1.0
CG D:ASP110 3.4 28.1 1.0
N D:ASP110 3.6 27.8 1.0
NZ D:LYS25 3.6 33.3 1.0
CB D:ASP110 3.6 27.7 1.0
OD2 D:ASP110 3.7 26.2 1.0
OD1 D:ASP110 3.7 29.9 1.0
N D:GLY109 3.9 28.0 1.0
O D:LEU8 3.9 32.5 1.0
CE D:LYS25 3.9 32.2 1.0
C D:GLY109 4.0 28.6 1.0
CG D:GLN26 4.0 27.7 1.0
CA D:GLY109 4.0 29.3 1.0
O D:HOH454 4.1 39.9 1.0
CD D:GLN26 4.1 26.9 1.0
O D:GLY10 4.2 39.4 1.0
CA D:ASP110 4.2 28.5 1.0
N D:GLY10 4.3 36.2 1.0
CA D:ALA9 4.4 33.9 1.0
CD D:LYS25 4.7 30.7 1.0
C D:ALA9 4.7 34.3 1.0
C D:LEU108 4.8 27.8 1.0
O D:GLY109 4.8 28.3 1.0
C D:LEU8 4.8 32.7 1.0

Chlorine binding site 8 out of 8 in 6t37

Go back to Chlorine Binding Sites List in 6t37
Chlorine binding site 8 out of 8 in the Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Pseudomonas Aeruginosa Rmla in Complex with Allosteric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:46.5
occ:1.00
N D:GLY13 3.4 43.1 1.0
CA D:GLY11 3.5 38.8 1.0
CA D:GLY13 3.6 44.1 1.0
C D:GLY11 3.7 39.0 1.0
CG2 D:THR56 4.0 28.9 1.0
N D:SER12 4.0 40.1 1.0
O D:GLY11 4.3 35.6 1.0
C D:SER12 4.5 42.0 1.0
N D:GLY11 4.6 38.4 1.0
CG D:PRO85 4.7 53.5 1.0
C D:GLY13 4.8 46.4 1.0
O D:GLY13 4.8 44.5 1.0
CD D:PRO85 4.9 52.5 1.0
CA D:SER12 4.9 42.3 1.0

Reference:

G.Xiao, M.S.Alphey, F.Tran, N.J.Westwood, J.H.Naismith. Potent Allosteric Inhibitors of Pseudomonas Aeruginosa Glucose-1-Phosphate Thymidylyltransferase (Rmla) To Be Published.
Page generated: Mon Jul 29 15:13:23 2024

Last articles

Ca in 2RIB
Ca in 2RIA
Ca in 2RF7
Ca in 2RI8
Ca in 2RI9
Ca in 2RGD
Ca in 2RGE
Ca in 2RGC
Ca in 2RGB
Ca in 2RGA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy