Atomistry » Chlorine » PDB 5nk8-5nr7 » 5nls
Atomistry »
  Chlorine »
    PDB 5nk8-5nr7 »
      5nls »

Chlorine in PDB 5nls: Auxiliary Activity 9

Protein crystallography data

The structure of Auxiliary Activity 9, PDB code: 5nls was solved by K.E.H.Frandsen, J.-C.N.Poulsen, T.Tandrup, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.75
Space group P 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 126.300, 126.300, 126.300, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 21.4

Other elements in 5nls:

The structure of Auxiliary Activity 9 also contains other interesting chemical elements:

Copper (Cu) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Auxiliary Activity 9 (pdb code 5nls). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Auxiliary Activity 9, PDB code: 5nls:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5nls

Go back to Chlorine Binding Sites List in 5nls
Chlorine binding site 1 out of 4 in the Auxiliary Activity 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Auxiliary Activity 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:40.8
occ:0.50
CL A:CL308 0.0 40.8 0.5
CL A:CL308 1.7 41.6 0.5
O A:HOH563 1.9 41.1 0.5
O A:HOH563 2.5 39.5 0.5
NH1 A:ARG18 3.7 34.4 1.0
NH2 A:ARG18 3.9 31.0 1.0
NE1 A:TRP5 4.2 40.8 1.0
CZ A:ARG18 4.2 32.9 1.0
N A:ARG69 4.4 31.1 1.0
CD1 A:TRP5 4.8 35.6 1.0
CA A:THR68 4.8 35.5 1.0
CB A:ARG69 4.8 38.4 1.0
CG2 A:THR68 4.9 49.1 1.0
CB A:THR68 5.0 40.2 1.0

Chlorine binding site 2 out of 4 in 5nls

Go back to Chlorine Binding Sites List in 5nls
Chlorine binding site 2 out of 4 in the Auxiliary Activity 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Auxiliary Activity 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:41.6
occ:0.50
CL A:CL308 0.0 41.6 0.5
CL A:CL308 1.7 40.8 0.5
N A:ARG69 3.1 31.1 1.0
O A:HOH563 3.2 41.1 0.5
CB A:THR68 3.5 40.2 1.0
CA A:THR68 3.6 35.5 1.0
CB A:ARG69 3.8 38.4 1.0
C A:THR68 3.8 27.2 1.0
CG2 A:THR68 3.8 49.1 1.0
O A:HOH436 4.0 59.6 1.0
CA A:ARG69 4.0 32.1 1.0
O A:HOH563 4.1 39.5 0.5
NE1 A:TRP5 4.7 40.8 1.0
OG1 A:THR68 4.9 37.9 1.0
N A:THR68 5.0 32.9 1.0

Chlorine binding site 3 out of 4 in 5nls

Go back to Chlorine Binding Sites List in 5nls
Chlorine binding site 3 out of 4 in the Auxiliary Activity 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Auxiliary Activity 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:48.6
occ:1.00
NE2 A:GLN162 3.2 32.0 1.0
NE2 A:HIS147 3.2 35.8 1.0
C5 A:BGC305 3.6 41.4 1.0
C1 A:BGC305 3.6 35.3 1.0
O5 A:BGC305 3.7 34.8 1.0
CE1 A:HIC1 3.8 25.3 1.0
OE1 A:GLN162 3.8 28.9 1.0
O3 A:BGC304 3.9 43.0 1.0
C4 A:BGC304 3.9 34.1 1.0
CU A:CU301 4.0 27.7 1.0
CD A:GLN162 4.0 30.8 1.0
C6 A:BGC305 4.1 43.0 1.0
CE1 A:HIS78 4.1 31.0 1.0
CE1 A:HIS147 4.1 32.2 1.0
CD2 A:HIS147 4.2 31.5 1.0
NE2 A:HIS78 4.2 26.7 1.0
ND1 A:HIC1 4.3 24.7 1.0
O4 A:BGC304 4.3 32.6 1.0
C3 A:BGC304 4.5 38.9 1.0
C2 A:BGC305 4.7 36.7 1.0
C3 A:BGC305 4.7 35.2 1.0
C4 A:BGC305 4.7 35.2 1.0
OE1 A:GLU148 4.9 43.8 1.0
NE2 A:HIC1 4.9 29.4 1.0
C5 A:BGC304 4.9 37.5 1.0
OH A:TYR164 4.9 28.1 1.0
C6 A:BGC304 5.0 34.6 1.0

Chlorine binding site 4 out of 4 in 5nls

Go back to Chlorine Binding Sites List in 5nls
Chlorine binding site 4 out of 4 in the Auxiliary Activity 9


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Auxiliary Activity 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:47.9
occ:0.50
O A:HOH545 1.4 31.1 0.5
O A:HOH592 2.1 40.6 0.5
O6 A:BGC304 3.5 32.6 1.0
CE1 A:HIS66 3.8 45.7 1.0
O A:HOH567 3.9 52.7 1.0
O A:HOH421 3.9 44.3 1.0
C5 A:BGC304 4.0 37.5 1.0
C6 A:BGC304 4.1 34.6 1.0
NE2 A:HIS66 4.4 36.1 1.0
O3 A:BGC303 4.5 35.6 1.0
O5 A:BGC304 4.6 35.3 1.0
ND1 A:HIS66 4.9 36.0 1.0

Reference:

T.J.Simmons, K.E.H.Frandsen, L.Ciano, T.Tryfona, N.Lenfant, J.C.Poulsen, L.F.L.Wilson, T.Tandrup, M.Tovborg, K.Schnorr, K.S.Johansen, B.Henrissat, P.H.Walton, L.Lo Leggio, P.Dupree. Structural and Electronic Determinants of Lytic Polysaccharide Monooxygenase Reactivity on Polysaccharide Substrates. Nat Commun V. 8 1064 2017.
ISSN: ESSN 2041-1723
PubMed: 29057953
DOI: 10.1038/S41467-017-01247-3
Page generated: Sat Dec 12 12:10:04 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy