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Chlorine in PDB 1av2: Gramicidin A/Cscl Complex, Active As A Dimer

Protein crystallography data

The structure of Gramicidin A/Cscl Complex, Active As A Dimer, PDB code: 1av2 was solved by B.M.Burkhart, N.Li, D.A.Langs, W.L.Duax, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 31.060, 31.880, 52.110, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 18.6

Other elements in 1av2:

The structure of Gramicidin A/Cscl Complex, Active As A Dimer also contains other interesting chemical elements:

Caesium (Cs) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Gramicidin A/Cscl Complex, Active As A Dimer (pdb code 1av2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Gramicidin A/Cscl Complex, Active As A Dimer, PDB code: 1av2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1av2

Go back to Chlorine Binding Sites List in 1av2
Chlorine binding site 1 out of 4 in the Gramicidin A/Cscl Complex, Active As A Dimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gramicidin A/Cscl Complex, Active As A Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl19

b:49.4
occ:0.50
H A:ALA5 2.5 17.4 1.0
HA A:DLE4 2.7 18.6 1.0
N A:ALA5 3.2 14.5 1.0
CA A:DLE4 3.6 15.5 1.0
O A:ALA5 3.6 16.7 1.0
HD13 A:DLE4 3.8 54.2 1.0
HB1 A:ALA5 3.8 31.5 1.0
C A:DLE4 3.9 14.8 1.0
HB2 B:ETA16 4.0 26.5 0.5
O A:HOH2001 4.0 29.3 0.7
CA A:ALA5 4.1 15.3 1.0
C B:MOH511 4.2 46.8 0.5
O A:ALA3 4.2 18.6 1.0
C A:ALA5 4.3 15.3 1.0
HB2 A:DLE4 4.4 27.0 1.0
HD11 A:DLE4 4.4 54.2 1.0
CB A:ALA5 4.4 21.0 1.0
CD1 A:DLE4 4.5 36.1 1.0
CB A:DLE4 4.5 22.5 1.0
HB1 B:ETA16 4.5 26.5 0.5
N A:DLE4 4.6 15.4 1.0
HB3 A:ALA5 4.7 31.5 1.0
CB B:ETA16 4.7 22.1 0.5
C A:ALA3 4.8 14.2 1.0
O B:MOH511 4.8 36.6 0.5

Chlorine binding site 2 out of 4 in 1av2

Go back to Chlorine Binding Sites List in 1av2
Chlorine binding site 2 out of 4 in the Gramicidin A/Cscl Complex, Active As A Dimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gramicidin A/Cscl Complex, Active As A Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl19

b:44.6
occ:0.50
H B:ALA5 2.1 20.4 1.0
HA B:DLE4 2.9 20.1 1.0
N B:ALA5 3.0 17.0 1.0
HB1 B:ALA5 3.4 30.5 1.0
HD13 B:DLE4 3.6 32.7 1.0
CA B:DLE4 3.7 16.8 1.0
HD11 B:DLE4 3.7 32.7 1.0
O B:ALA5 3.8 20.1 1.0
C B:DLE4 3.8 16.6 1.0
CA B:ALA5 3.9 17.7 1.0
HB2 B:DLE4 3.9 21.2 1.0
HD23 D:DLE4 4.0 53.8 1.0
CB B:ALA5 4.0 20.4 1.0
HD22 D:DLE4 4.0 53.8 1.0
CD1 B:DLE4 4.1 21.8 1.0
HB3 B:ALA5 4.2 30.5 1.0
CB B:DLE4 4.3 17.7 1.0
C B:ALA5 4.3 16.2 1.0
CD2 D:DLE4 4.5 35.9 1.0
O B:ALA3 4.6 17.0 1.0
HZ3 A:TRP11 4.6 28.6 1.0
CS B:CS17 4.7 35.7 0.1
HA B:ALA5 4.8 21.3 1.0
N B:DLE4 4.8 15.8 1.0
HD12 D:DLE4 4.8 41.7 1.0
CG B:DLE4 4.9 20.2 1.0
HA1 A:ETA16 4.9 31.4 1.0
HB2 B:ALA5 4.9 30.5 1.0
HD12 B:DLE4 4.9 32.7 1.0

Chlorine binding site 3 out of 4 in 1av2

Go back to Chlorine Binding Sites List in 1av2
Chlorine binding site 3 out of 4 in the Gramicidin A/Cscl Complex, Active As A Dimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Gramicidin A/Cscl Complex, Active As A Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl20

b:45.2
occ:0.50
O D:HOH2010 2.0 56.2 1.0
H C:ALA5 2.5 20.1 1.0
HD21 C:DLE4 2.6 31.6 0.5
HA C:DLE4 3.0 18.2 1.0
HD13 C:DLE4 3.3 32.5 0.5
N C:ALA5 3.3 16.8 1.0
O C:ALA5 3.5 16.7 1.0
CD2 C:DLE4 3.5 21.1 0.5
HD23 C:DLE4 3.7 31.6 0.5
CA C:DLE4 3.8 15.2 1.0
HD22 C:DLE4 3.9 31.6 0.5
C C:DLE4 4.1 15.5 1.0
CS C:CS19 4.1 31.4 0.2
O D:HOH2011 4.2 25.8 0.3
CD1 C:DLE4 4.2 21.6 0.5
HB1 C:ALA5 4.2 31.8 1.0
O C:ALA3 4.3 17.7 1.0
CA C:ALA5 4.3 15.7 1.0
C C:ALA5 4.3 15.1 1.0
HD11 C:DLE4 4.3 32.5 0.5
O D:ETA16 4.4 43.6 1.0
HB2 C:DLE4 4.6 22.4 0.5
CG C:DLE4 4.6 19.4 0.5
CB C:DLE4 4.7 18.7 0.5
N C:DLE4 4.7 14.9 1.0
CB C:ALA5 4.8 21.2 1.0
CB C:DLE4 4.8 18.6 0.5
HO D:ETA16 4.8 65.5 1.0
HG C:DLE4 4.8 23.2 0.5
HD12 C:DLE4 4.8 32.5 0.5
C C:ALA3 4.9 14.7 1.0
HA1 D:ETA16 4.9 33.0 1.0
CG C:DLE4 4.9 20.1 0.5
HG C:DLE4 4.9 24.1 0.5
HB2 D:ETA16 5.0 38.7 1.0

Chlorine binding site 4 out of 4 in 1av2

Go back to Chlorine Binding Sites List in 1av2
Chlorine binding site 4 out of 4 in the Gramicidin A/Cscl Complex, Active As A Dimer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Gramicidin A/Cscl Complex, Active As A Dimer within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl17

b:39.9
occ:0.50
H D:ALA5 2.1 20.7 1.0
HA D:DLE4 2.8 21.4 1.0
N D:ALA5 3.0 17.2 1.0
O D:HOH2003 3.2 29.1 0.2
HB1 D:ALA5 3.2 29.9 1.0
CA D:DLE4 3.6 17.8 1.0
HD11 D:DLE4 3.7 41.7 1.0
HD22 B:DLE4 3.7 41.7 1.0
C D:DLE4 3.8 16.5 1.0
HB2 D:DLE4 3.8 25.3 1.0
CB D:ALA5 3.8 19.9 1.0
HB3 D:ALA5 3.9 29.9 1.0
CA D:ALA5 3.9 16.8 1.0
O D:ALA5 4.1 18.4 1.0
HD23 B:DLE4 4.2 41.7 1.0
HD12 D:DLE4 4.2 41.7 1.0
CB D:DLE4 4.3 21.1 1.0
CD1 D:DLE4 4.4 27.8 1.0
CD2 B:DLE4 4.4 27.8 1.0
C D:ALA5 4.5 15.6 1.0
O D:ALA3 4.6 17.4 1.0
HD12 B:DLE4 4.6 32.7 1.0
HB2 D:ALA5 4.7 29.9 1.0
HA D:ALA5 4.8 20.2 1.0
N D:DLE4 4.8 15.6 1.0
O D:DLE4 5.0 20.8 1.0
HD21 B:DLE4 5.0 41.7 1.0

Reference:

B.M.Burkhart, N.Li, D.A.Langs, W.A.Pangborn, W.L.Duax. The Conducting Form of Gramicidin A Is A Right-Handed Double-Stranded Double Helix. Proc.Natl.Acad.Sci.Usa V. 95 12950 1998.
ISSN: ISSN 0027-8424
PubMed: 9789021
DOI: 10.1073/PNAS.95.22.12950
Page generated: Sat Dec 12 08:31:41 2020

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