Chlorine in PDB 4ctd: X-Ray Structure of An Engineered Ompg LOOP6-Deletion

The structure of X-Ray Structure of An Engineered Ompg LOOP6-Deletion, PDB code: 4ctd was solved by W.Grosse, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.210 / 3.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	59.940, 60.060, 59.760, 70.45, 95.24, 70.58
R / Rfree (%)	23.84 / 28.89

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion (pdb code 4ctd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion, PDB code: 4ctd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1271 b:45.2 occ:1.00 NH2 A:ARG92 2.9 46.9 1.0 NH1 A:ARG92 3.1 52.2 1.0 CZ A:ARG92 3.4 47.2 1.0 NH2 A:ARG68 3.7 77.5 1.0 NH1 A:ARG68 4.0 89.3 1.0 CZ A:ARG68 4.1 75.2 1.0 NH1 A:ARG111 4.3 73.1 1.0 NH2 A:ARG111 4.7 68.3 1.0 NE A:ARG92 4.7 16.1 1.0 CZ A:ARG111 4.9 68.5 1.0

Chlorine binding site 2 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1272 b:46.9 occ:1.00 NH2 A:ARG211 3.2 95.9 1.0 NH1 A:ARG211 3.3 82.1 1.0 CZ A:ARG211 3.7 80.2 1.0 CL A:CL1281 4.4 34.9 1.0 NE A:ARG211 5.0 62.5 1.0

Chlorine binding site 3 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1273 b:90.2 occ:1.00 OE1 A:GLU241 2.9 55.8 1.0 OG A:SER239 3.3 80.5 1.0 OH A:TYR259 3.6 29.8 1.0 CB A:GLU241 3.7 48.8 1.0 SD A:MET13 4.0 54.4 1.0 CD A:GLU241 4.0 63.5 1.0 CE2 A:PHE227 4.2 42.2 1.0 OE2 A:GLU15 4.2 57.3 1.0 O A:GLY261 4.5 17.2 1.0 CG A:GLU241 4.5 62.4 1.0 CG A:MET13 4.6 13.2 1.0 C A:GLY261 4.6 28.3 1.0 CD2 A:PHE227 4.6 13.0 1.0 N A:GLU241 4.7 16.3 1.0 O A:SER239 4.7 43.1 1.0 CB A:SER239 4.7 73.2 1.0 CZ A:TYR259 4.8 46.4 1.0 CA A:GLU241 4.8 20.8 1.0

Chlorine binding site 4 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1274 b:46.0 occ:1.00 OG1 A:THR210 3.1 32.7 1.0 N A:THR210 3.8 12.3 1.0 C A:TYR209 3.9 53.3 1.0 CA A:TYR209 4.0 33.1 1.0 N A:TYR209 4.0 43.7 1.0 CB A:THR210 4.2 23.1 1.0 C A:PRO208 4.2 42.8 1.0 O A:ALA195 4.3 17.0 1.0 O A:PRO208 4.4 11.6 1.0 O A:TYR209 4.4 67.6 1.0 CB A:PRO208 4.5 13.6 1.0 CA A:THR210 4.6 16.6 1.0 CA A:PRO208 4.9 24.6 1.0

Chlorine binding site 5 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1275 b:56.4 occ:1.00 NH1 A:ARG168 3.3 68.6 1.0 ND2 A:ASN170 3.5 64.3 1.0 CD1 A:TRP131 4.0 14.1 1.0 CZ A:ARG168 4.1 72.5 1.0 NE1 A:TRP131 4.1 25.8 1.0 O A:GLU154 4.2 45.5 1.0 CD A:GLU154 4.2 56.8 1.0 CG A:GLU154 4.3 55.9 1.0 CA A:GLY130 4.4 19.8 1.0 OE1 A:GLU154 4.4 58.2 1.0 NH2 A:ARG168 4.5 78.3 1.0 OE2 A:GLU154 4.5 50.4 1.0 OD1 A:ASN129 4.5 34.7 1.0 CG A:ASN170 4.6 55.1 1.0 CB A:GLU154 4.7 17.2 1.0 C A:GLU154 5.0 37.8 1.0 NE A:ARG168 5.0 61.7 1.0 N A:TRP131 5.0 38.1 1.0

Chlorine binding site 6 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1280 b:45.4 occ:1.00 CE A:MET13 3.6 12.9 1.0 OG A:SER33 4.5 30.4 1.0 SD A:MET13 4.7 54.4 1.0 NH2 A:ARG68 4.8 77.5 1.0 CD2 A:TYR50 4.9 60.0 1.0 OE1 A:GLU15 5.0 46.2 1.0

Chlorine binding site 7 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1281 b:34.9 occ:1.00 CZ A:TYR259 3.8 46.4 1.0 CE2 A:TYR259 4.0 50.1 1.0 OH A:TYR259 4.0 29.8 1.0 CE1 A:TYR259 4.2 33.8 1.0 NH2 A:ARG211 4.4 95.9 1.0 CL A:CL1272 4.4 46.9 1.0 CD2 A:TYR259 4.5 60.5 1.0 OE2 A:GLU241 4.5 62.7 1.0 CD1 A:TYR259 4.7 41.3 1.0 CG A:TYR259 4.8 54.9 1.0 NH1 A:ARG223 4.9 42.3 1.0 OE2 A:GLU15 5.0 57.3 1.0 CD A:GLU241 5.0 63.5 1.0

Chlorine binding site 8 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1271 b:41.3 occ:1.00 OG1 B:THR210 3.1 42.6 1.0 N B:THR210 3.7 12.4 1.0 C B:TYR209 3.8 54.1 1.0 CA B:TYR209 3.9 38.7 1.0 O B:ALA195 4.0 11.7 1.0 N B:TYR209 4.0 51.3 1.0 CB B:THR210 4.0 31.8 1.0 C B:PRO208 4.2 45.9 1.0 O B:PRO208 4.4 11.3 1.0 O B:TYR209 4.4 71.9 1.0 CA B:THR210 4.5 13.0 1.0 CB B:PRO208 4.6 11.8 1.0 C B:ALA195 4.8 23.9 1.0 CB B:ALA195 4.8 43.5 1.0

Chlorine binding site 9 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1272 b:35.0 occ:1.00 CG2 B:THR164 3.2 37.4 1.0 OG1 B:THR164 3.5 24.8 1.0 ND2 B:ASN162 3.9 54.2 1.0 CB B:THR164 3.9 33.7 1.0 CG B:ASN162 4.0 46.8 1.0 N B:THR164 4.1 20.8 1.0 CB B:GLU163 4.3 39.4 1.0 CB B:ASN162 4.4 52.5 1.0 OD1 B:ASN162 4.4 34.5 1.0 N B:GLU163 4.5 66.1 1.0 CA B:THR164 4.7 21.2 1.0 OE2 B:GLU163 4.8 87.1 1.0 CA B:GLU163 4.9 64.0 1.0 CG B:GLU163 4.9 40.4 1.0 C B:GLU163 5.0 47.4 1.0

Chlorine binding site 10 out of 12 in the X-Ray Structure of An Engineered Ompg LOOP6-Deletion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Structure of An Engineered Ompg LOOP6-Deletion within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1273 b:40.2 occ:1.00 NH2 B:ARG211 3.6 90.7 1.0 NH1 B:ARG211 3.7 75.0 1.0 CZ B:ARG211 4.1 73.1 1.0

W.Grosse, G.Psakis, B.Mertins, P.Reiss, D.Windisch, F.Brademann, J.Burck, A.Ulrich, U.Koert, L.Essen. Structure-Based Engineering of A Minimal Porin Reveals Loop- Independent Channel Closure. Biochemistry V. 53 4826 2014.
ISSN: ISSN 0006-2960
PubMed: 24988371
DOI: 10.1021/BI500660Q