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Chlorine in PDB 4n7s: Crystal Structure of TSE3-TSI3 Complex with Zinc Ion

Protein crystallography data

The structure of Crystal Structure of TSE3-TSI3 Complex with Zinc Ion, PDB code: 4n7s was solved by G.J.Shang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.80 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.196, 93.254, 171.790, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 23.6

Other elements in 4n7s:

The structure of Crystal Structure of TSE3-TSI3 Complex with Zinc Ion also contains other interesting chemical elements:

Zinc (Zn) 7 atoms
Calcium (Ca) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of TSE3-TSI3 Complex with Zinc Ion (pdb code 4n7s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of TSE3-TSI3 Complex with Zinc Ion, PDB code: 4n7s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4n7s

Go back to Chlorine Binding Sites List in 4n7s
Chlorine binding site 1 out of 2 in the Crystal Structure of TSE3-TSI3 Complex with Zinc Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of TSE3-TSI3 Complex with Zinc Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:60.9
occ:1.00
CA A:VAL38 3.2 39.2 1.0
C A:VAL38 3.3 41.1 1.0
N A:ASP40 3.4 32.2 1.0
N A:ALA41 3.4 41.8 1.0
N A:PRO39 3.6 41.8 1.0
CB A:VAL38 3.6 45.0 1.0
CB A:ASP40 3.6 41.8 1.0
O A:VAL38 3.7 38.5 1.0
CD A:PRO39 3.8 40.5 1.0
CA A:ASP40 3.9 39.6 1.0
CG1 A:VAL38 4.0 39.3 1.0
C A:ASP40 4.2 41.9 1.0
CB A:ALA41 4.2 35.1 1.0
C A:PRO39 4.3 33.4 1.0
CA A:ALA41 4.4 40.6 1.0
CG A:PRO39 4.5 40.3 1.0
CA A:PRO39 4.5 40.7 1.0
O A:ASN37 4.6 43.5 1.0
N A:VAL38 4.6 36.7 1.0
CG A:ASP40 4.8 43.2 1.0

Chlorine binding site 2 out of 2 in 4n7s

Go back to Chlorine Binding Sites List in 4n7s
Chlorine binding site 2 out of 2 in the Crystal Structure of TSE3-TSI3 Complex with Zinc Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of TSE3-TSI3 Complex with Zinc Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl504

b:59.7
occ:1.00
C C:GLY126 3.6 37.8 1.0
N C:ALA128 3.7 41.1 1.0
O C:GLY126 3.7 37.7 1.0
CE C:LYS227 3.8 54.4 1.0
NZ C:LYS227 3.8 56.7 1.0
N C:ALA129 3.8 45.0 1.0
CA C:GLY126 3.8 36.0 1.0
N C:PHE127 4.0 37.4 1.0
CB C:ALA129 4.1 55.0 1.0
CB C:ALA128 4.4 40.6 1.0
CA C:ALA128 4.4 42.3 1.0
CA C:PHE127 4.4 33.5 1.0
C C:PHE127 4.4 40.2 1.0
C C:ALA128 4.6 47.1 1.0
CA C:ALA129 4.6 46.0 1.0
O C:ALA122 4.8 36.2 1.0
CD C:LYS227 4.9 50.2 1.0
N C:GLY126 5.0 35.4 1.0

Reference:

D.Lu, G.Shang, H.Zhang, Q.Yu, X.Cong, J.Yuan, F.He, C.Zhu, Y.Zhao, K.Yin, Y.Chen, J.Hu, X.Zhang, Z.Yuan, S.Xu, W.Hu, H.Cang, L.Gu. Structural Insights Into the T6SS Effector Protein TSE3 and the TSE3-TSI3 Complex From Pseudomonas Aeruginosa Reveal A Calcium-Dependent Membrane-Binding Mechanism Mol.Microbiol. V. 92 1092 2014.
ISSN: ISSN 0950-382X
PubMed: 24724564
DOI: 10.1111/MMI.12616
Page generated: Sun Jul 21 20:30:03 2024

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