Atomistry » Chlorine » PDB 4ui1-4uut » 4ut4
Atomistry »
  Chlorine »
    PDB 4ui1-4uut »
      4ut4 »

Chlorine in PDB 4ut4: Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.

Enzymatic activity of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.

All present enzymatic activity of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.:
2.7.1.167;

Protein crystallography data

The structure of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex., PDB code: 4ut4 was solved by M.Vivoli, M.N.Isupov, R.Nicholas, A.Hill, A.Scott, P.Kosma, J.Prior, N.J.Harmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.48 / 1.94
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 101.100, 116.330, 168.090, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 23.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. (pdb code 4ut4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex., PDB code: 4ut4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 1 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:25.2
occ:1.00
 O A:HOH2309 3.0 32.3 1.0
O A:HOH2448 3.0 33.6 1.0
N A:GLY117 3.2 16.1 1.0
O1 A:MAN400 3.2 30.1 1.0
O A:HOH2194 3.3 27.1 1.0
NH2 A:ARG13 3.3 21.1 1.0
C A:GLY115 3.4 19.2 1.0
CA A:GLY115 3.4 18.1 1.0
N A:LEU116 3.7 17.9 1.0
CA A:GLY117 3.7 15.1 1.0
O A:GLY115 3.8 19.9 1.0
O A:HOH2196 3.9 29.4 1.0
N A:GLY115 4.0 17.4 1.0
CA A:GLY299 4.0 23.8 1.0
C1 A:MAN400 4.2 33.6 1.0
CZ A:ARG13 4.2 23.8 1.0
C A:LEU116 4.2 18.8 1.0
NH1 A:ARG13 4.3 20.8 1.0
CL A:CL402 4.4 25.4 1.0
CA A:LEU116 4.5 18.6 1.0
O5 A:MAN400 4.5 28.5 1.0
O A:HOH2303 4.6 35.4 1.0
OD2 A:ASP163 4.7 25.4 1.0
O A:HOH2078 4.7 39.7 1.0
C A:GLY117 4.8 17.5 1.0
N A:ALA300 4.9 20.0 1.0
N A:SER118 5.0 17.7 1.0
N A:GLY299 5.0 24.7 1.0

Chlorine binding site 2 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 2 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:25.4
occ:1.00
 O A:HOH2196 3.0 29.4 1.0
OG A:SER118 3.1 19.5 1.0
N A:SER118 3.2 17.7 1.0
N A:LEU116 3.3 17.9 1.0
N A:SER114 3.4 19.3 1.0
CB A:SER118 3.4 20.4 1.0
N A:GLY115 3.6 17.4 1.0
N A:GLY117 3.6 16.1 1.0
CB A:SER114 3.6 22.1 1.0
CA A:SER114 3.8 18.9 1.0
O A:HOH2194 3.9 27.1 1.0
C A:LEU116 3.9 18.8 1.0
CA A:LEU116 3.9 18.6 1.0
CA A:SER118 3.9 17.2 1.0
O A:PRO111 3.9 20.3 1.0
C A:SER114 4.0 19.3 1.0
CB A:LEU116 4.1 19.4 1.0
O A:HOH2193 4.2 36.6 1.0
C A:GLY117 4.2 17.5 1.0
C A:GLY115 4.3 19.2 1.0
N A:GLY113 4.3 25.1 1.0
CA A:GLY117 4.4 15.1 1.0
CA A:GLY115 4.4 18.1 1.0
CL A:CL401 4.4 25.2 1.0
OG A:SER114 4.5 20.9 1.0
C A:GLY113 4.5 22.7 1.0
O A:LEU116 4.7 16.7 1.0
CA A:GLY113 4.8 25.1 1.0
N A:SER119 4.9 18.6 1.0
C A:ALA112 4.9 29.0 1.0
C A:SER118 4.9 19.8 1.0
O A:SER114 4.9 21.4 1.0
CG A:LEU116 5.0 19.0 1.0
CA A:ALA112 5.0 28.7 1.0
O A:HOH2197 5.0 43.4 1.0

Chlorine binding site 3 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 3 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:32.8
occ:0.70
 O A:HOH2379 2.9 31.5 1.0
NZ A:LYS296 3.0 28.6 1.0
N A:GLY19 3.0 18.8 1.0
O A:HOH2026 3.1 30.1 1.0
CL A:CL404 3.2 30.0 1.0
C A:ALA17 3.3 17.9 1.0
CA A:ALA17 3.4 14.9 1.0
N A:ALA17 3.4 17.1 1.0
CA A:GLY19 3.5 23.1 1.0
N A:GLY18 3.5 16.4 1.0
O A:ALA17 3.7 16.3 1.0
O A:GLY15 3.8 24.6 1.0
C A:GLY15 3.8 19.7 1.0
C A:LEU16 4.0 17.8 1.0
O A:HOH2025 4.1 29.9 1.0
C A:GLY18 4.1 17.9 1.0
CA A:GLY15 4.2 17.6 1.0
CE A:LYS296 4.2 30.3 1.0
N A:LEU16 4.3 18.4 1.0
CA A:GLY18 4.4 14.9 1.0
NZ A:LYS268 4.4 19.2 1.0
O A:LEU16 4.4 19.9 1.0
C A:GLY19 4.6 21.9 1.0
O A:GLY19 4.6 20.0 1.0
CA A:LEU16 4.7 16.3 1.0
CB A:ALA17 4.9 16.3 1.0

Chlorine binding site 4 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 4 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:30.0
occ:1.00
 O A:HOH2379 3.1 31.5 1.0
NE2 A:GLN162 3.2 17.0 1.0
CL A:CL403 3.2 32.8 0.7
N A:GLY299 3.4 24.7 1.0
CA A:GLY299 3.5 23.8 1.0
CA A:GLY15 3.7 17.6 1.0
CA A:GLY19 3.7 23.1 1.0
O A:GLY299 3.8 19.8 1.0
C A:GLY299 3.8 22.1 1.0
CD A:GLN162 4.3 21.1 1.0
NH2 A:ARG13 4.4 21.1 1.0
NZ A:LYS268 4.4 19.2 1.0
N A:GLY19 4.4 18.8 1.0
C A:GLY15 4.5 19.7 1.0
OE1 A:GLN162 4.5 22.6 1.0
C6 A:MAN400 4.5 25.3 1.0
CZ A:ARG13 4.5 23.8 1.0
C A:SER298 4.6 19.8 1.0
O A:GLY15 4.6 24.6 1.0
N A:GLY15 4.6 18.9 1.0
NH1 A:ARG13 4.7 20.8 1.0
C A:GLY19 4.7 21.9 1.0
O4 A:MAN400 4.8 27.0 1.0
N A:ALA300 4.8 20.0 1.0
C5 A:MAN400 4.8 30.2 1.0
O A:HOH2026 4.8 30.1 1.0

Chlorine binding site 5 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 5 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:27.9
occ:1.00
 O B:HOH2348 3.0 36.1 1.0
O B:HOH2230 3.1 33.2 1.0
N B:GLY117 3.2 21.7 1.0
O B:HOH2154 3.2 28.0 1.0
O1 B:MAN400 3.2 32.7 1.0
NH2 B:ARG13 3.3 23.6 1.0
CA B:GLY115 3.4 22.1 1.0
C B:GLY115 3.4 21.1 1.0
N B:LEU116 3.6 22.6 1.0
CA B:GLY117 3.6 19.2 1.0
O B:GLY115 3.9 23.4 1.0
O B:HOH2156 4.0 26.9 1.0
N B:GLY115 4.0 18.0 1.0
CA B:GLY299 4.1 28.4 1.0
CZ B:ARG13 4.2 22.7 1.0
C1 B:MAN400 4.2 38.3 1.0
C B:LEU116 4.3 22.0 1.0
NH1 B:ARG13 4.3 21.4 1.0
O B:HOH2233 4.3 38.4 1.0
CL B:CL402 4.4 25.7 1.0
CA B:LEU116 4.5 23.7 1.0
O5 B:MAN400 4.6 33.2 1.0
OD2 B:ASP163 4.7 27.1 1.0
C B:GLY117 4.8 21.8 1.0
N B:ALA300 4.8 24.4 1.0
O B:HOH2232 5.0 41.0 1.0
N B:SER118 5.0 21.8 1.0

Chlorine binding site 6 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 6 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:25.7
occ:1.00
 OG B:SER118 3.2 23.3 1.0
N B:LEU116 3.2 22.6 1.0
N B:SER118 3.3 21.8 1.0
N B:SER114 3.3 21.0 1.0
O B:HOH2156 3.3 26.9 1.0
N B:GLY115 3.5 18.0 1.0
CB B:SER118 3.6 21.3 1.0
N B:GLY117 3.6 21.7 1.0
CB B:SER114 3.6 23.9 1.0
O B:HOH2154 3.7 28.0 1.0
CA B:SER114 3.7 23.3 1.0
CA B:LEU116 3.9 23.7 1.0
C B:LEU116 3.9 22.0 1.0
C B:SER114 3.9 21.2 1.0
O B:PRO111 4.0 24.7 1.0
CA B:SER118 4.0 22.0 1.0
CB B:LEU116 4.1 17.9 1.0
C B:GLY115 4.2 21.1 1.0
N B:GLY113 4.3 27.0 1.0
C B:GLY117 4.3 21.8 1.0
O B:HOH2152 4.3 43.8 1.0
CA B:GLY115 4.3 22.1 1.0
CA B:GLY117 4.4 19.2 1.0
C B:GLY113 4.4 30.0 1.0
CL B:CL401 4.4 27.9 1.0
OG B:SER114 4.4 26.8 1.0
O B:LEU116 4.7 20.8 1.0
CA B:GLY113 4.7 25.8 1.0
O B:SER114 4.9 25.3 1.0
C B:ALA112 4.9 31.5 1.0
CG B:LEU116 4.9 21.8 1.0
CA B:ALA112 5.0 34.2 1.0
N B:SER119 5.0 23.8 1.0

Chlorine binding site 7 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 7 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:31.6
occ:0.70
 NZ B:LYS296 3.0 32.1 1.0
N B:GLY19 3.0 25.0 1.0
O B:HOH2286 3.1 41.1 1.0
O B:HOH2023 3.2 36.4 1.0
C B:ALA17 3.3 21.0 1.0
CL B:CL404 3.3 30.4 1.0
CA B:ALA17 3.4 19.7 1.0
N B:ALA17 3.4 18.2 1.0
CA B:GLY19 3.5 24.2 1.0
N B:GLY18 3.5 23.3 1.0
O B:ALA17 3.7 20.3 1.0
C B:GLY15 3.9 20.0 1.0
O B:GLY15 3.9 27.1 1.0
C B:LEU16 4.0 26.7 1.0
C B:GLY18 4.1 21.4 1.0
CE B:LYS296 4.1 27.4 1.0
O B:HOH2009 4.2 27.0 1.0
CA B:GLY15 4.2 18.4 1.0
N B:LEU16 4.2 20.2 1.0
CA B:GLY18 4.3 18.1 1.0
O B:LEU16 4.4 25.6 1.0
NZ B:LYS268 4.5 23.4 1.0
C B:GLY19 4.6 26.4 1.0
O B:GLY19 4.7 24.0 1.0
CA B:LEU16 4.7 18.9 1.0
CB B:ALA17 4.9 19.6 1.0

Chlorine binding site 8 out of 8 in 4ut4

Go back to Chlorine Binding Sites List in 4ut4
Chlorine binding site 8 out of 8 in the Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Burkholderia Pseudomallei Heptokinase Wcbl, D-Mannose Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:30.4
occ:1.00
 O B:HOH2286 3.0 41.1 1.0
NE2 B:GLN162 3.2 20.6 1.0
CL B:CL403 3.3 31.6 0.7
N B:GLY299 3.4 30.1 1.0
CA B:GLY299 3.4 28.4 1.0
CA B:GLY15 3.7 18.4 1.0
CA B:GLY19 3.8 24.2 1.0
O B:GLY299 3.8 23.7 1.0
C B:GLY299 3.8 29.3 1.0
NH2 B:ARG13 4.2 23.6 1.0
CD B:GLN162 4.3 26.1 1.0
CZ B:ARG13 4.4 22.7 1.0
C6 B:MAN400 4.4 28.9 1.0
C B:GLY15 4.5 20.0 1.0
N B:GLY19 4.5 25.0 1.0
OE1 B:GLN162 4.5 25.9 1.0
NZ B:LYS268 4.5 23.4 1.0
C B:SER298 4.6 21.1 1.0
N B:GLY15 4.6 20.4 1.0
NH1 B:ARG13 4.7 21.4 1.0
O B:GLY15 4.7 27.1 1.0
C5 B:MAN400 4.7 35.5 1.0
O4 B:MAN400 4.7 28.8 1.0
C B:GLY19 4.7 26.4 1.0
N B:ALA300 4.8 24.4 1.0
O B:HOH2023 4.9 36.4 1.0
NE B:ARG13 5.0 23.9 1.0

Reference:

M.Vivoli, M.N.Isupov, R.Nicholas, A.Hill, A.E.Scott, P.Kosma, J.L.Prior, N.J.Harmer. Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol. V. 22 1622 2015.
ISSN: ISSN 1074-5521
PubMed: 26687481
DOI: 10.1016/J.CHEMBIOL.2015.10.015
Page generated: Fri Jul 26 02:29:01 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy