Chlorine in PDB 5t09: The Structure of the Type III Effector HOPBA1

The structure of The Structure of the Type III Effector HOPBA1, PDB code: 5t09 was solved by K.Cherkis, M.Machius, M.T.Nishimura, J.L.Dangl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.13 / 2.01
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.865, 64.865, 96.380, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 23.2

The structure of The Structure of the Type III Effector HOPBA1 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the The Structure of the Type III Effector HOPBA1 (pdb code 5t09). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Structure of the Type III Effector HOPBA1, PDB code: 5t09:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Structure of the Type III Effector HOPBA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of the Type III Effector HOPBA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:78.5 occ:1.00 H A:LYS101 2.8 77.9 1.0 HB2 A:LYS101 3.0 91.4 1.0 HB3 A:LYS101 3.0 91.4 1.0 HH22 A:ARG132 3.4 0.3 1.0 CB A:LYS101 3.5 76.2 1.0 N A:LYS101 3.7 64.9 1.0 NH2 A:ARG132 4.0 0.3 1.0 HE2 A:LYS101 4.1 85.5 1.0 HD3 A:LYS101 4.2 91.1 1.0 CA A:LYS101 4.2 63.7 1.0 HH12 A:ARG132 4.2 0.5 1.0 HA3 A:GLY100 4.3 93.2 1.0 HH21 A:ARG132 4.4 0.3 1.0 HA2 A:GLY100 4.6 93.2 1.0 H A:SER102 4.6 75.4 1.0 CG A:LYS101 4.7 73.1 1.0 C A:GLY100 4.7 68.4 1.0 NH1 A:ARG132 4.8 98.8 1.0 CD A:LYS101 4.8 75.9 1.0 CA A:GLY100 4.8 77.7 1.0 CZ A:ARG132 4.8 0.6 1.0 HA A:LYS101 4.8 76.5 1.0 CE A:LYS101 4.8 71.2 1.0

Chlorine binding site 2 out of 4 in the The Structure of the Type III Effector HOPBA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of the Type III Effector HOPBA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:83.2 occ:1.00 HD1 A:HIS87 2.7 80.3 1.0 HB3 A:HIS87 2.9 51.5 1.0 O A:HOH412 3.0 73.9 1.0 HB3 A:SER88 3.1 63.7 1.0 ND1 A:HIS87 3.5 66.9 1.0 HH21 A:ARG142 3.6 77.9 1.0 H A:SER88 3.6 63.5 1.0 N A:SER88 3.8 52.9 1.0 CB A:HIS87 3.8 42.9 1.0 NH2 A:ARG142 3.8 64.9 1.0 HA A:SER88 3.9 63.6 1.0 HH22 A:ARG142 4.0 77.9 1.0 CB A:SER88 4.0 53.1 1.0 CG A:HIS87 4.1 56.4 1.0 CA A:SER88 4.1 53.0 1.0 C A:HIS87 4.2 50.9 1.0 CZ A:ARG142 4.4 57.8 1.0 HB2 A:HIS87 4.5 51.5 1.0 HE A:ARG142 4.5 85.5 1.0 CA A:HIS87 4.5 43.3 1.0 HB2 A:SER88 4.6 63.7 1.0 CE1 A:HIS87 4.6 64.3 1.0 O A:HOH410 4.7 44.7 1.0 NE A:ARG142 4.7 71.2 1.0 H A:HIS87 4.8 55.6 1.0 OG A:SER88 4.8 54.0 1.0 HB2 A:ARG142 4.8 73.1 1.0 O A:HIS87 4.9 55.2 1.0 HE1 A:HIS87 4.9 77.2 1.0 N A:HIS87 5.0 46.3 1.0

Chlorine binding site 3 out of 4 in the The Structure of the Type III Effector HOPBA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of the Type III Effector HOPBA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:69.2 occ:1.00 HG2 A:GLN154 3.0 83.8 1.0 HE21 A:GLN154 3.6 82.6 1.0 CG A:GLN154 4.0 69.8 1.0 HZ1 A:LYS161 4.1 0.7 1.0 NE2 A:GLN154 4.2 68.9 1.0 HZ2 A:LYS161 4.2 0.7 1.0 HG3 A:GLN154 4.3 83.8 1.0 HD12 A:LEU157 4.3 68.2 1.0 HD13 A:LEU157 4.3 68.2 1.0 CD A:GLN154 4.5 69.8 1.0 NZ A:LYS161 4.6 83.9 1.0 HA A:GLN154 4.6 70.7 1.0 CD1 A:LEU157 4.8 56.8 1.0 HZ3 A:LYS161 4.8 0.7 1.0 HE22 A:GLN154 4.8 82.6 1.0 HB3 A:GLN154 5.0 72.3 1.0 CB A:GLN154 5.0 60.3 1.0

Chlorine binding site 4 out of 4 in the The Structure of the Type III Effector HOPBA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of the Type III Effector HOPBA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:68.9 occ:1.00 HE A:ARG162 2.5 76.5 1.0 HH21 A:ARG162 3.2 85.1 1.0 NE A:ARG162 3.3 63.7 1.0 NE2 A:HIS193 3.4 41.6 1.0 HG3 A:ARG162 3.5 56.6 1.0 HB3 A:ARG162 3.6 49.0 1.0 O A:HOH426 3.6 52.8 1.0 HE1 A:MSE159 3.7 0.3 1.0 HD2 A:HIS193 3.8 52.5 1.0 NH2 A:ARG162 3.9 70.9 1.0 CD2 A:HIS193 3.9 43.8 1.0 CZ A:ARG162 4.1 65.3 1.0 CG A:ARG162 4.1 47.1 1.0 SE A:MSE159 4.1 0.8 1.0 CB A:ARG162 4.1 40.8 1.0 HE2 A:TYR158 4.2 77.0 1.0 HB2 A:ARG162 4.2 49.0 1.0 CD A:ARG162 4.2 60.5 1.0 CE A:MSE159 4.4 0.6 1.0 CE1 A:HIS193 4.5 42.8 1.0 HD3 A:ARG162 4.5 72.7 1.0 HH22 A:ARG162 4.7 85.1 1.0 HH A:TYR158 4.7 81.1 1.0 HA3 A:GLY190 4.7 40.5 1.0 HE2 A:MSE159 4.7 0.3 1.0 HE1 A:HIS193 4.8 51.3 1.0 OE2 A:GLU83 4.9 46.5 1.0 CE2 A:TYR158 5.0 64.2 1.0

M.T.Nishimura, R.G.Anderson, K.A.Cherkis, T.F.Law, Q.L.Liu, M.Machius, Z.L.Nimchuk, L.Yang, E.H.Chung, F.El Kasmi, M.Hyunh, E.Osborne Nishimura, J.E.Sondek, J.L.Dangl. Tir-Only Protein RBA1 Recognizes A Pathogen Effector to Regulate Cell Death in Arabidopsis. Proc. Natl. Acad. Sci. V. 114 E2053 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28137883
DOI: 10.1073/PNAS.1620973114