Chlorine in PDB 5app: Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors

The structure of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors, PDB code: 5app was solved by M.D.Hartmann, O.Ridderbusch, A.N.Lupas, B.Hernandez Alvarez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.90 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.130, 35.860, 198.510, 90.00, 96.02, 90.00
R / Rfree (%)	22.5 / 25.4

The binding sites of Chlorine atom in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors (pdb code 5app). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors, PDB code: 5app:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1232 b:44.8 occ:1.00 ND2 A:ASN142 3.0 45.2 1.0 ND2 C:ASN142 3.2 44.9 1.0 CB C:SER139 3.4 46.5 1.0 ND2 B:ASN142 3.5 45.2 1.0 CA C:SER139 3.5 47.6 1.0 CB A:SER139 3.5 43.2 1.0 CB B:SER139 3.6 43.5 1.0 CA B:SER139 3.6 43.5 1.0 CA A:SER139 3.7 43.0 1.0 CB A:ASN142 3.8 45.2 1.0 CG A:ASN142 3.9 46.2 1.0 CB C:ASN142 4.0 44.4 1.0 CB B:ASN142 4.0 44.2 1.0 CG C:ASN142 4.1 44.3 1.0 O C:SER139 4.2 47.2 1.0 CG B:ASN142 4.3 44.1 1.0 C C:SER139 4.4 50.2 1.0 O B:SER139 4.4 41.2 1.0 N C:SER139 4.4 45.9 1.0 C B:SER139 4.5 44.3 1.0 O A:SER139 4.6 44.2 1.0 N B:SER139 4.6 44.0 1.0 N A:SER139 4.6 42.2 1.0 C A:SER139 4.7 45.1 1.0 OG C:SER139 4.7 52.1 1.0 OG A:SER139 4.8 48.1 1.0 O A:ARG138 4.9 45.1 1.0 OG B:SER139 5.0 45.7 1.0

Chlorine binding site 2 out of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1233 b:44.8 occ:1.00 ND2 C:ASN156 2.9 53.4 1.0 ND2 A:ASN156 3.0 48.5 1.0 ND2 B:ASN156 3.1 52.2 1.0 CB A:ASN156 3.7 51.9 1.0 CB B:ASN156 3.7 54.5 1.0 CB C:ASN156 3.7 54.9 1.0 CG C:ASN156 3.7 54.5 1.0 CG A:ASN156 3.8 49.3 1.0 CG B:ASN156 3.9 52.7 1.0 CA A:ILE153 4.0 50.3 1.0 CG1 C:ILE153 4.0 55.0 1.0 CA B:ILE153 4.0 53.7 1.0 CG1 B:ILE153 4.1 54.2 1.0 CG1 A:ILE153 4.1 50.1 1.0 CG2 B:ILE153 4.3 54.5 1.0 CG2 A:ILE153 4.4 48.6 1.0 O B:ILE153 4.4 57.0 1.0 CB B:ILE153 4.4 54.5 1.0 CB A:ILE153 4.4 50.3 1.0 CA C:ILE153 4.4 54.3 1.0 CG2 C:ILE153 4.4 55.5 1.0 CB C:ILE153 4.5 54.1 1.0 O A:ILE153 4.6 55.4 1.0 C B:ILE153 4.7 56.0 1.0 C A:ILE153 4.8 54.1 1.0 N A:ILE153 4.9 52.4 1.0 O B:LYS152 4.9 58.1 1.0 OD1 C:ASN156 4.9 53.8 1.0 N B:ILE153 5.0 55.3 1.0 OD1 A:ASN156 5.0 51.5 1.0

Chlorine binding site 3 out of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1232 b:60.2 occ:1.00 ND2 B:ASN179 2.9 71.0 1.0 ND2 A:ASN179 3.5 64.8 1.0 CG B:ASN179 3.6 70.8 1.0 ND2 C:ASN179 3.7 71.7 1.0 CB C:ASN179 3.7 70.3 1.0 CB B:ASN179 3.7 71.5 1.0 CA C:ILE176 3.9 77.7 1.0 CG1 C:ILE176 4.0 75.8 1.0 CG C:ASN179 4.1 70.7 1.0 O C:ILE176 4.2 78.7 1.0 CB A:ASN179 4.2 65.1 1.0 CA B:ILE176 4.2 63.2 1.0 CG1 B:ILE176 4.2 62.7 1.0 CB C:ILE176 4.3 77.0 1.0 CG2 C:ILE176 4.3 77.5 1.0 CG A:ASN179 4.3 64.4 1.0 CG1 A:ILE176 4.4 66.8 1.0 C C:ILE176 4.5 79.4 1.0 O C:ASP175 4.6 77.6 1.0 CB B:ILE176 4.6 62.6 1.0 CG2 B:ILE176 4.7 62.6 1.0 OD1 B:ASN179 4.7 72.9 1.0 O B:ILE176 4.7 65.9 1.0 N C:ILE176 4.8 77.8 1.0 CA A:ILE176 4.9 67.5 1.0 CA C:ASN179 5.0 70.7 1.0

Chlorine binding site 4 out of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1232 b:44.2 occ:1.00 ND2 C:ASN149 3.2 47.7 1.0 ND2 A:ASN149 3.2 46.2 1.0 CB A:SER146 3.5 45.9 1.0 CA A:SER146 3.5 44.7 1.0 CB C:SER146 3.6 47.6 1.0 CB B:SER146 3.7 49.6 1.0 CA C:SER146 3.8 46.7 1.0 ND2 B:ASN149 3.8 43.7 1.0 CB A:ASN149 3.9 42.7 1.0 CA B:SER146 3.9 48.7 1.0 CB C:ASN149 3.9 45.9 1.0 CG C:ASN149 4.0 46.0 1.0 CG A:ASN149 4.1 41.7 1.0 O A:SER146 4.2 45.6 1.0 CB B:ASN149 4.4 43.4 1.0 C A:SER146 4.4 48.4 1.0 N A:SER146 4.5 42.2 1.0 O C:ARG145 4.6 46.1 1.0 CG B:ASN149 4.6 42.9 1.0 N C:SER146 4.6 45.1 1.0 O B:SER146 4.6 48.8 1.0 O C:SER146 4.7 48.2 1.0 C C:SER146 4.8 49.6 1.0 C B:SER146 4.8 49.7 1.0 N B:SER146 4.9 49.0 1.0 OG A:SER146 4.9 48.1 1.0 OG C:SER146 4.9 47.6 1.0 O A:ARG145 4.9 44.7 1.0 C C:ARG145 4.9 45.9 1.0

Chlorine binding site 5 out of 5 in the Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Actinobacillus Actinomycetemcomitans OMP100 Residues 133-198 Fused to GCN4 Adaptors within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1233 b:61.9 occ:1.00 ND2 B:ASN172 2.9 57.8 1.0 ND2 C:ASN172 2.9 63.4 1.0 ND2 A:ASN172 3.0 58.9 1.0 CB C:ASN172 3.4 66.5 1.0 CG1 C:VAL169 3.5 60.6 1.0 CG C:ASN172 3.6 64.7 1.0 CG2 C:VAL169 3.7 56.8 1.0 CA C:VAL169 3.7 59.8 1.0 CB A:ASN172 3.8 60.0 1.0 CB C:VAL169 3.8 58.8 1.0 CG B:ASN172 3.8 57.9 1.0 CB B:ASN172 3.9 61.2 1.0 CG A:ASN172 3.9 59.8 1.0 CG1 A:VAL169 4.1 65.4 1.0 CG2 B:VAL169 4.2 59.9 1.0 O C:VAL169 4.2 65.0 1.0 CG2 A:VAL169 4.3 64.1 1.0 CA B:VAL169 4.5 62.2 1.0 C C:VAL169 4.5 64.0 1.0 CA A:VAL169 4.5 63.6 1.0 CB A:VAL169 4.5 63.6 1.0 CB B:VAL169 4.7 60.1 1.0 CG1 B:VAL169 4.7 63.0 1.0 N C:VAL169 4.8 59.2 1.0 O C:ASP168 4.8 59.9 1.0 OD1 C:ASN172 4.8 65.2 1.0 CA C:ASN172 4.8 68.8 1.0 O A:VAL169 4.9 67.3 1.0 OD1 B:ASN172 4.9 54.8 1.0 O B:VAL169 5.0 67.7 1.0

M.D.Hartmann, C.T.Mendler, J.Bassler, I.Karamichali, O.Ridderbusch, A.N.Lupas, B.Hernandez Alvarez. Alpha / Beta Coiled Coils. Elife V. 5 2016.
ISSN: ESSN 2050-084X
PubMed: 26771248
DOI: 10.7554/ELIFE.11861