Chlorine in PDB 6eac: Pseudomonas Syringae Selo

The structure of Pseudomonas Syringae Selo, PDB code: 6eac was solved by D.R.Tomchick, V.S.Tagliabracci, A.Sreelatha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.14 / 2.27
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	136.174, 158.056, 227.248, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.2

The structure of Pseudomonas Syringae Selo also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Calcium	(Ca)	14 atoms

The binding sites of Chlorine atom in the Pseudomonas Syringae Selo (pdb code 6eac). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Pseudomonas Syringae Selo, PDB code: 6eac:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Pseudomonas Syringae Selo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Syringae Selo within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:33.2 occ:1.00 HE A:ARG165 2.5 37.6 1.0 HH12 A:ARG93 2.5 32.5 1.0 H A:VAL129 2.6 32.2 1.0 HA A:ALA128 2.7 38.5 1.0 HG22 A:VAL129 2.9 38.2 1.0 HH21 A:ARG165 3.0 45.6 1.0 NH1 A:ARG93 3.2 27.1 1.0 HH11 A:ARG93 3.3 32.5 1.0 NE A:ARG165 3.3 31.3 1.0 N A:VAL129 3.4 26.8 1.0 HG13 A:VAL129 3.4 37.1 1.0 HB2 A:SER132 3.5 37.5 1.0 CA A:ALA128 3.6 32.1 1.0 NH2 A:ARG165 3.7 38.0 1.0 HB3 A:SER132 3.7 37.5 1.0 CG2 A:VAL129 3.8 31.8 1.0 HB1 A:ALA128 3.9 32.5 1.0 CB A:SER132 4.0 31.2 1.0 CZ A:ARG165 4.0 37.8 1.0 C A:ALA128 4.0 31.7 1.0 O A:ARG127 4.1 24.7 1.0 CB A:ALA128 4.2 27.1 1.0 HD2 A:ARG165 4.2 42.2 1.0 OG A:SER132 4.2 34.7 1.0 HG21 A:VAL129 4.2 38.2 1.0 CG1 A:VAL129 4.2 30.9 1.0 HH22 A:ARG93 4.3 35.3 1.0 CD A:ARG165 4.3 35.1 1.0 HB2 A:ALA128 4.3 32.5 1.0 HG3 A:ARG165 4.3 42.8 1.0 CZ A:ARG93 4.3 29.2 1.0 HG23 A:VAL129 4.4 38.2 1.0 CB A:VAL129 4.4 29.6 1.0 O A:HOH753 4.4 32.7 1.0 HH22 A:ARG165 4.5 45.6 1.0 CA A:VAL129 4.5 27.1 1.0 N A:ALA128 4.6 29.2 1.0 HG11 A:VAL129 4.6 37.1 1.0 HG A:SER132 4.7 41.6 1.0 NH2 A:ARG93 4.7 29.4 1.0 C A:ARG127 4.7 23.6 1.0 CG A:ARG165 4.9 35.7 1.0 HN61 A:ANP506 4.9 38.1 1.0 HG12 A:VAL129 4.9 37.1 1.0 HH12 A:ARG131 5.0 51.2 1.0

Chlorine binding site 2 out of 4 in the Pseudomonas Syringae Selo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Syringae Selo within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:30.3 occ:1.00 HE B:ARG165 2.4 42.8 1.0 HH12 B:ARG93 2.6 30.1 1.0 HG22 B:VAL129 2.8 33.2 1.0 HG B:SER132 2.8 45.1 1.0 H B:VAL129 2.8 33.2 1.0 HA B:ALA128 2.9 33.8 1.0 HH21 B:ARG165 3.2 42.2 1.0 NE B:ARG165 3.3 35.6 1.0 NH1 B:ARG93 3.3 25.1 1.0 HH11 B:ARG93 3.4 30.1 1.0 OG B:SER132 3.5 37.6 1.0 N B:VAL129 3.6 27.6 1.0 HG13 B:VAL129 3.6 33.4 1.0 HB3 B:SER132 3.7 42.2 1.0 CG2 B:VAL129 3.7 27.7 1.0 CA B:ALA128 3.8 28.2 1.0 HD2 B:ARG165 3.9 38.7 1.0 NH2 B:ARG165 3.9 35.1 1.0 CZ B:ARG165 4.0 35.6 1.0 HG21 B:VAL129 4.1 33.2 1.0 HB1 B:ALA128 4.1 30.2 1.0 CB B:SER132 4.1 35.2 1.0 CD B:ARG165 4.2 32.2 1.0 C B:ALA128 4.2 30.2 1.0 HG23 B:VAL129 4.3 33.2 1.0 O B:ARG127 4.3 24.9 1.0 HH22 B:ARG93 4.3 26.9 1.0 CG1 B:VAL129 4.4 27.8 1.0 HB2 B:SER132 4.4 42.2 1.0 CB B:ALA128 4.4 25.2 1.0 CB B:VAL129 4.4 26.6 1.0 CZ B:ARG93 4.5 26.0 1.0 HG3 B:ARG165 4.5 42.2 1.0 HB2 B:ALA128 4.6 30.2 1.0 CA B:VAL129 4.6 26.9 1.0 HH22 B:ARG131 4.6 41.5 1.0 HH22 B:ARG165 4.7 42.2 1.0 HG11 B:VAL129 4.7 33.4 1.0 NH2 B:ARG93 4.8 22.4 1.0 N B:ALA128 4.9 26.6 1.0 CG B:ARG165 4.9 35.1 1.0 HD3 B:ARG165 4.9 38.7 1.0 HH12 B:ARG131 4.9 44.5 1.0 H B:SER132 5.0 32.1 1.0 C B:ARG127 5.0 22.9 1.0

Chlorine binding site 3 out of 4 in the Pseudomonas Syringae Selo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Syringae Selo within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:33.8 occ:1.00 HH12 C:ARG165 2.0 48.2 1.0 HH22 C:ARG93 2.2 38.8 1.0 HG C:SER132 2.3 67.9 1.0 H C:VAL129 2.5 33.5 1.0 NH2 C:ARG93 2.7 32.3 1.0 HH21 C:ARG93 2.7 38.8 1.0 HA C:ALA128 2.7 38.1 1.0 HG22 C:VAL129 2.8 41.4 1.0 NH1 C:ARG165 2.9 40.1 1.0 OG C:SER132 3.0 56.5 1.0 HH22 C:ARG165 3.1 49.9 1.0 N C:VAL129 3.3 27.9 1.0 HH11 C:ARG165 3.4 48.2 1.0 HB3 C:SER132 3.4 61.1 1.0 CA C:ALA128 3.6 31.8 1.0 HG13 C:VAL129 3.6 41.4 1.0 CB C:SER132 3.7 50.9 1.0 NH2 C:ARG165 3.7 41.6 1.0 CZ C:ARG165 3.7 40.4 1.0 CG2 C:VAL129 3.7 34.5 1.0 HB1 C:ALA128 3.7 37.8 1.0 CZ C:ARG93 4.0 33.9 1.0 C C:ALA128 4.0 30.1 1.0 HB2 C:SER132 4.0 61.1 1.0 O C:HOH720 4.0 36.8 1.0 HG21 C:VAL129 4.1 41.4 1.0 CB C:ALA128 4.1 31.4 1.0 HH12 C:ARG93 4.2 35.8 1.0 HG23 C:VAL129 4.3 41.4 1.0 HB2 C:ALA128 4.3 37.8 1.0 O C:ARG127 4.3 25.3 1.0 CB C:VAL129 4.4 33.9 1.0 CA C:VAL129 4.4 31.9 1.0 CG1 C:VAL129 4.4 34.5 1.0 NH1 C:ARG93 4.5 29.8 1.0 HH21 C:ARG165 4.5 49.9 1.0 H C:SER132 4.7 40.7 1.0 N C:ALA128 4.7 30.3 1.0 O C:VAL129 4.7 32.7 1.0 HG11 C:VAL129 4.8 41.4 1.0 C C:ARG127 4.9 25.7 1.0 HE C:ARG93 4.9 42.6 1.0 NE C:ARG93 5.0 35.5 1.0

Chlorine binding site 4 out of 4 in the Pseudomonas Syringae Selo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Syringae Selo within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl505 b:32.7 occ:1.00 HG D:SER132 2.1 65.3 1.0 HH12 D:ARG165 2.1 44.5 1.0 HH12 D:ARG93 2.3 34.2 1.0 H D:VAL129 2.5 37.3 1.0 HG22 D:VAL129 2.8 37.6 1.0 HA D:ALA128 2.8 37.2 1.0 OG D:SER132 2.8 54.4 1.0 NH1 D:ARG165 3.0 37.0 1.0 NH1 D:ARG93 3.1 28.5 1.0 HH11 D:ARG93 3.3 34.2 1.0 N D:VAL129 3.4 31.0 1.0 HH11 D:ARG165 3.4 44.5 1.0 HH22 D:ARG165 3.4 49.5 1.0 HG13 D:VAL129 3.5 40.4 1.0 HB3 D:SER132 3.6 59.4 1.0 CA D:ALA128 3.6 31.0 1.0 HB1 D:ALA128 3.7 33.3 1.0 CG2 D:VAL129 3.7 31.3 1.0 CB D:SER132 3.7 49.5 1.0 CZ D:ARG165 3.9 39.0 1.0 HH22 D:ARG93 3.9 43.1 1.0 NH2 D:ARG165 4.0 41.2 1.0 HB2 D:SER132 4.0 59.4 1.0 HG21 D:VAL129 4.0 37.6 1.0 C D:ALA128 4.0 34.1 1.0 CB D:ALA128 4.1 27.7 1.0 CZ D:ARG93 4.2 30.9 1.0 O D:HOH709 4.2 41.7 1.0 HB2 D:ALA128 4.3 33.3 1.0 HG23 D:VAL129 4.3 37.6 1.0 CG1 D:VAL129 4.3 33.6 1.0 CB D:VAL129 4.3 31.7 1.0 O D:ARG127 4.4 26.1 1.0 CA D:VAL129 4.4 31.8 1.0 NH2 D:ARG93 4.4 35.9 1.0 H D:SER132 4.7 45.0 1.0 HG11 D:VAL129 4.7 40.4 1.0 O D:VAL129 4.8 32.9 1.0 N D:ALA128 4.8 28.5 1.0 HH21 D:ARG165 4.8 49.5 1.0 C D:ARG127 5.0 25.3 1.0

A.Sreelatha, S.S.Yee, V.A.Lopez, B.C.Park, L.N.Kinch, S.Pilch, K.A.Servage, J.Zhang, J.Jiou, M.Karasiewicz-Urbanska, M.Lobocka, N.V.Grishin, K.Orth, R.Kucharczyk, K.Pawlowski, D.R.Tomchick, V.S.Tagliabracci. Protein Ampylation By An Evolutionarily Conserved Pseudokinase. Cell V. 175 809 2018.
ISSN: ISSN 1097-4172
PubMed: 30270044
DOI: 10.1016/J.CELL.2018.08.046