Chlorine in PDB 6s6c: Ground State Structure of Archaerhodopsin-3 at 100K

Protein crystallography data

The structure of Ground State Structure of Archaerhodopsin-3 at 100K, PDB code: 6s6c was solved by I.Moraes, P.J.Judge, D.Axford, T.O.C.Kwan, J.F.Bada Juarez, J.Vinals, A.Watts, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.10 / 1.07
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.669, 47.357, 104.193, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 17

Other elements in 6s6c:

The structure of Ground State Structure of Archaerhodopsin-3 at 100K also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ground State Structure of Archaerhodopsin-3 at 100K (pdb code 6s6c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Ground State Structure of Archaerhodopsin-3 at 100K, PDB code: 6s6c:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6s6c

Go back to Chlorine Binding Sites List in 6s6c
Chlorine binding site 1 out of 3 in the Ground State Structure of Archaerhodopsin-3 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ground State Structure of Archaerhodopsin-3 at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl715

b:16.0
occ:0.90
H A:ALA8 2.2 15.7 1.0
H A:ILE213 2.3 13.1 1.0
H A:GLY212 2.6 14.0 1.0
HA3 A:GLY210 2.9 16.5 1.0
HA A:PCA7 2.9 19.6 1.0
HG13 A:ILE213 3.1 16.9 1.0
N A:ALA8 3.2 15.5 1.0
HA3 A:GLY212 3.2 13.7 1.0
N A:GLY212 3.3 13.8 1.0
O A:HOH635 3.3 27.7 1.0
N A:ILE213 3.3 13.0 1.0
HB3 A:ALA8 3.4 17.5 1.0
C A:GLY210 3.4 14.5 1.0
CA A:GLY210 3.5 16.9 1.0
H A:GLY210 3.5 17.6 1.0
HB2 A:ALA8 3.6 17.3 1.0
CA A:GLY212 3.6 13.9 1.0
O A:GLY210 3.7 15.0 1.0
CA A:PCA7 3.7 19.9 1.0
HB A:ILE213 3.8 15.4 1.0
N A:LEU211 3.8 15.0 1.0
CB A:ALA8 3.8 17.7 1.0
N A:GLY210 3.9 17.2 1.0
H A:LEU211 3.9 14.7 1.0
CG1 A:ILE213 3.9 17.0 1.0
HB2 A:PCA7 4.0 19.8 0.8
C A:PCA7 4.0 17.7 1.0
C A:GLY212 4.0 13.2 1.0
CA A:ALA8 4.1 15.4 1.0
HD12 A:ILE213 4.2 18.5 1.0
CB A:ILE213 4.2 15.4 1.0
C A:LEU211 4.3 12.9 1.0
O A:HOH639 4.3 35.5 1.0
HA2 A:GLY210 4.3 16.9 1.0
CA A:ILE213 4.4 13.5 1.0
H A:GLU214 4.4 12.8 1.0
CB A:PCA7 4.4 20.3 1.0
CD1 A:ILE213 4.5 18.9 1.0
HD11 A:ILE213 4.5 18.6 1.0
HA2 A:GLY212 4.6 13.8 1.0
CA A:LEU211 4.7 13.9 1.0
HG12 A:ILE213 4.7 17.0 1.0
HB1 A:ALA8 4.7 17.2 1.0
HA A:ALA8 4.8 15.3 1.0
O A:ALA8 4.9 15.4 1.0
N A:PCA7 4.9 21.5 0.8
HA A:ILE213 5.0 13.5 1.0
HB3 A:PCA7 5.0 20.2 1.0

Chlorine binding site 2 out of 3 in 6s6c

Go back to Chlorine Binding Sites List in 6s6c
Chlorine binding site 2 out of 3 in the Ground State Structure of Archaerhodopsin-3 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ground State Structure of Archaerhodopsin-3 at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl716

b:19.0
occ:0.84
H A:LYS47 2.4 15.0 1.0
HG3 A:LYS47 2.7 30.8 0.0
HA A:ASP46 3.0 14.5 1.0
O A:HOH586 3.1 14.9 1.0
N A:LYS47 3.3 14.9 1.0
O A:HOH520 3.3 15.2 1.0
CG A:LYS47 3.5 24.7 1.0
HB2 A:LYS47 3.6 18.7 1.0
CA A:ASP46 3.9 14.7 1.0
CB A:LYS47 4.0 18.3 1.0
C A:ASP46 4.1 13.8 1.0
OD1 A:ASP46 4.1 14.2 1.0
CA A:LYS47 4.2 15.8 1.0
HG2 A:LYS47 4.3 22.7 1.0
O A:THR45 4.4 23.8 1.0
CG A:ASP46 4.4 13.9 1.0
O A:HOH629 4.5 19.1 1.0
CB A:ASP46 4.7 13.6 1.0
H A:ASP48 4.7 13.8 1.0
HA A:LYS47 4.7 15.7 1.0
N A:ASP46 4.8 16.7 1.0
HB3 A:LYS47 4.9 18.4 1.0
HB2 A:ASP46 5.0 13.7 1.0
C A:THR45 5.0 18.8 1.0

Chlorine binding site 3 out of 3 in 6s6c

Go back to Chlorine Binding Sites List in 6s6c
Chlorine binding site 3 out of 3 in the Ground State Structure of Archaerhodopsin-3 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ground State Structure of Archaerhodopsin-3 at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl717

b:27.3
occ:0.80
H A:THR45 2.2 24.0 1.0
H A:ASP46 2.2 16.8 1.0
HG1 A:THR45 2.8 37.9 0.0
HG13 A:VAL44 2.8 28.4 1.0
HA A:VAL44 3.1 25.6 1.0
HB2 A:ASP46 3.2 13.7 1.0
N A:THR45 3.2 23.9 1.0
N A:ASP46 3.2 16.7 1.0
HB3 A:ASP46 3.4 13.7 1.0
HD22 A:LEU240 3.6 14.5 1.0
OG1 A:THR45 3.6 23.2 0.5
CB A:ASP46 3.7 13.6 1.0
CG1 A:VAL44 3.8 28.7 1.0
CA A:VAL44 3.9 25.5 1.0
C A:VAL44 4.0 25.0 1.0
CA A:THR45 4.1 23.7 1.0
CA A:ASP46 4.1 14.7 1.0
HB3 A:ALA49 4.1 12.8 1.0
C A:THR45 4.1 18.8 1.0
HD21 A:LEU240 4.2 14.8 1.0
CD2 A:LEU240 4.2 14.7 1.0
HD23 A:LEU240 4.2 14.3 1.0
HG11 A:VAL44 4.3 28.4 1.0
HG21 A:VAL44 4.3 28.2 1.0
HG12 A:VAL44 4.3 28.6 1.0
CB A:VAL44 4.3 27.4 1.0
CB A:THR45 4.4 26.4 1.0
HA A:ASP46 4.6 14.5 1.0
HG23 A:THR45 4.7 28.4 1.0
O A:GLY43 4.7 37.8 1.0
HB2 A:ALA49 4.8 12.8 1.0
CB A:ALA49 4.8 12.8 1.0
CG2 A:VAL44 4.9 28.3 1.0
HB1 A:ALA49 4.9 12.7 1.0
HA A:THR45 4.9 23.4 1.0

Reference:

J.F.Bada Juarez, P.J.Judge, J.Vinals, D.Axford, J.Birch, P.Aller, A.Butryn, R.L.Owen, D.A.Sherrell, J.H.Beale, T.O.C.Kwan, R.Reis, A.M.Orville, A.Watts, I.Moraes. Structure of the Archaerhodopsin-3 at 100K To Be Published.
Page generated: Sat Dec 12 13:38:51 2020

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