Atomistry » Chlorine » PDB 5cnm-5cu4 » 5ct6
Atomistry »
  Chlorine »
    PDB 5cnm-5cu4 »
      5ct6 »

Chlorine in PDB 5ct6: Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl]

Enzymatic activity of Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl]

All present enzymatic activity of Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl]:
3.1.1.3;

Protein crystallography data

The structure of Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl], PDB code: 5ct6 was solved by E.M.Nordwald, J.G.Plaks, J.R.Snell, M.C.Sousa, J.L.Kaar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.91 / 1.90
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 74.901, 74.901, 112.351, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl] (pdb code 5ct6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl], PDB code: 5ct6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5ct6

Go back to Chlorine Binding Sites List in 5ct6
Chlorine binding site 1 out of 3 in the Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl]


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:30.0
occ:1.00
H A:ILE157 2.7 19.0 1.0
H A:GLY158 2.9 19.4 1.0
HA3 A:GLY155 2.9 21.0 1.0
HB A:ILE157 2.9 24.5 1.0
H11 B:BM0203 3.0 33.2 0.7
H13 B:BM0203 3.3 31.5 0.6
H A:HIS156 3.4 19.7 1.0
N A:ILE157 3.4 19.0 1.0
N A:HIS156 3.6 19.7 1.0
N A:GLY158 3.6 19.4 1.0
HG12 A:ILE157 3.6 25.7 1.0
C A:GLY155 3.7 18.9 1.0
CA A:GLY155 3.7 21.0 1.0
CB A:ILE157 3.7 24.5 1.0
C6 B:BM0203 3.8 27.7 0.7
CA A:ILE157 4.0 18.9 1.0
C7 B:BM0203 4.1 26.3 0.6
CG1 A:ILE157 4.2 25.7 1.0
C A:ILE157 4.3 19.4 1.0
HA2 A:GLY155 4.3 21.0 1.0
HA3 A:GLY158 4.3 22.3 1.0
H14 B:BM0203 4.3 31.5 0.6
O A:GLY155 4.4 18.6 1.0
C A:HIS156 4.4 18.5 1.0
N1 B:BM0203 4.4 27.6 0.7
H A:GLY155 4.4 22.4 1.0
O A:HOH364 4.5 21.8 1.0
CA A:HIS156 4.5 20.1 1.0
HG13 A:ILE157 4.5 25.7 1.0
HB3 A:HIS156 4.5 19.8 1.0
CA A:GLY158 4.5 22.3 1.0
H2 A:HOH364 4.6 21.8 1.0
H1 A:HOH364 4.6 21.8 1.0
N A:GLY155 4.6 22.4 1.0
HA2 A:GLY158 4.9 22.3 1.0
H8 B:BM0203 4.9 34.6 0.6
H12 B:BM0203 4.9 31.5 0.6
HA A:ILE157 4.9 18.9 1.0
CG2 A:ILE157 5.0 22.9 1.0

Chlorine binding site 2 out of 3 in 5ct6

Go back to Chlorine Binding Sites List in 5ct6
Chlorine binding site 2 out of 3 in the Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl]


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl] within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:30.0
occ:1.00
H B:ILE157 2.7 23.2 1.0
HB B:ILE157 3.0 29.2 1.0
HA3 B:GLY155 3.1 24.9 1.0
H B:GLY158 3.3 24.4 1.0
H B:HIS156 3.4 22.2 1.0
N B:ILE157 3.5 23.2 1.0
HG12 B:ILE157 3.6 25.7 1.0
N B:HIS156 3.7 22.2 1.0
CB B:ILE157 3.8 29.2 1.0
C B:GLY155 3.9 19.6 1.0
CA B:GLY155 3.9 24.9 1.0
N B:GLY158 4.0 24.4 1.0
H2 B:HOH359 4.0 28.3 1.0
CA B:ILE157 4.1 24.4 1.0
CG1 B:ILE157 4.2 25.7 1.0
H1 B:HOH359 4.2 28.3 1.0
O B:HOH359 4.4 28.3 1.0
HB3 B:HIS156 4.4 22.4 1.0
HA2 B:GLY155 4.4 24.9 1.0
C B:HIS156 4.4 26.7 1.0
HG13 B:ILE157 4.5 25.7 1.0
C B:ILE157 4.5 25.7 1.0
CA B:HIS156 4.5 21.3 1.0
O B:GLY155 4.6 20.4 1.0
HA3 B:GLY158 4.7 22.8 1.0
H B:GLY155 4.8 23.1 1.0
N B:GLY155 4.9 23.1 1.0
CA B:GLY158 4.9 22.8 1.0
HA B:ILE157 5.0 24.4 1.0
CB B:HIS156 5.0 22.4 1.0

Chlorine binding site 3 out of 3 in 5ct6

Go back to Chlorine Binding Sites List in 5ct6
Chlorine binding site 3 out of 3 in the Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl]


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wild-Type Bacillus Subtilis Lipase A with 20% [Bmim][Cl] within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:30.0
occ:0.81
H B:ASN48 2.2 19.8 1.0
H2 B:HOH380 2.3 20.1 1.0
H1 B:HOH380 2.5 20.1 1.0
HA B:THR47 2.7 17.1 1.0
O B:HOH380 2.9 20.1 1.0
N B:ASN48 3.0 19.8 1.0
HB2 B:ASN48 3.3 21.6 1.0
H1 B:HOH407 3.5 37.5 1.0
O B:HOH407 3.5 37.5 1.0
CA B:THR47 3.6 17.1 1.0
HE2 B:MET78 3.6 20.1 1.0
HB B:THR47 3.6 24.4 1.0
H2 B:HOH407 3.8 37.5 1.0
C B:THR47 3.8 19.6 1.0
H2 B:HOH372 3.8 41.6 1.0
HE1 B:MET78 3.9 20.1 1.0
HD21 B:ASN48 3.9 22.4 1.0
CB B:ASN48 3.9 21.6 1.0
CA B:ASN48 4.1 21.4 1.0
CE B:MET78 4.1 20.1 1.0
ND2 B:ASN48 4.1 22.4 1.0
CG B:ASN48 4.1 22.2 1.0
CB B:THR47 4.1 24.4 1.0
O A:HOH425 4.2 43.6 1.0
HE3 B:MET78 4.2 20.1 1.0
H B:TYR49 4.3 22.1 1.0
H2 A:HOH425 4.4 43.6 1.0
HG22 B:THR47 4.5 20.8 1.0
HD22 B:ASN48 4.5 22.4 1.0
O B:HOH372 4.5 41.6 1.0
O B:GLY46 4.6 17.5 1.0
H2 A:HOH424 4.6 33.3 1.0
HA B:ASN48 4.7 21.4 1.0
N B:THR47 4.7 15.6 1.0
H1 A:HOH425 4.7 43.6 1.0
OD1 B:ASN48 4.8 18.9 1.0
HB3 B:ASN48 4.8 21.6 1.0
H2 B:HOH397 4.8 39.9 1.0
H A:BM0204 4.9 29.4 0.6
CG2 B:THR47 4.9 20.8 1.0
N B:TYR49 4.9 22.1 1.0

Reference:

E.M.Nordwald, J.G.Plaks, J.R.Snell, M.C.Sousa, J.L.Kaar. Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem V. 16 2456 2015.
ISSN: ESSN 1439-7633
PubMed: 26388426
DOI: 10.1002/CBIC.201500398
Page generated: Fri Jul 26 06:15:21 2024

Last articles

Cl in 3NDM
Cl in 3NDU
Cl in 3NDT
Cl in 3NF6
Cl in 3NEA
Cl in 3NDX
Cl in 3NCZ
Cl in 3NDH
Cl in 3ND0
Cl in 3NCP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy