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Calcium in PDB 4n80: Crystal Structure of TSE3-TSI3 Complex

Protein crystallography data

The structure of Crystal Structure of TSE3-TSI3 Complex, PDB code: 4n80 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) 43.98 / 2.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 91.064, 91.064, 169.805, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 23.3

Other elements in 4n80:

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

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of TSE3-TSI3 Complex (pdb code 4n80). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of TSE3-TSI3 Complex, PDB code: 4n80:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4n80

Go back to Calcium Binding Sites List in 4n80
Calcium binding site 1 out of 2 in the Crystal Structure of TSE3-TSI3 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of TSE3-TSI3 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:23.6
occ:1.00
OD1 A:ASN181 2.4 24.9 1.0
OE1 A:GLN254 2.4 21.2 1.0
O A:ASP253 2.5 23.1 1.0
O A:HOH748 2.6 22.7 1.0
OE1 A:GLU258 2.6 25.7 1.0
O A:HOH749 2.6 31.1 1.0
OE2 A:GLU258 2.7 27.8 1.0
CD A:GLU258 3.0 28.1 1.0
OE1 A:GLN280 3.1 21.1 1.0
CD A:GLN254 3.5 22.0 1.0
CG A:ASN181 3.6 28.1 1.0
C A:ASP253 3.7 22.5 1.0
CD A:GLN280 3.8 23.3 1.0
NH1 B:ARG60 4.0 22.7 1.0
CA A:GLN254 4.1 23.1 1.0
ZN A:ZN501 4.2 33.7 1.0
CB A:GLN254 4.3 23.5 1.0
O A:GLU250 4.3 25.3 1.0
NE2 A:GLN254 4.3 22.8 1.0
CG A:GLN280 4.3 20.4 1.0
N A:GLN254 4.4 23.9 1.0
ND2 A:ASN181 4.4 32.0 1.0
O B:HOH201 4.5 23.7 1.0
CG A:GLN254 4.5 22.9 1.0
CG A:GLU258 4.5 24.5 1.0
CB A:ASN181 4.6 21.2 1.0
CA A:ASN181 4.7 23.9 1.0
OE1 B:GLU126 4.7 25.8 1.0
CB A:ASP253 4.7 24.5 1.0
OE1 A:GLU250 4.8 20.0 1.0
NE2 A:GLN280 4.8 19.7 1.0
CA A:ASP253 4.8 25.4 1.0
CG A:ASP253 4.9 24.1 1.0

Calcium binding site 2 out of 2 in 4n80

Go back to Calcium Binding Sites List in 4n80
Calcium binding site 2 out of 2 in the Crystal Structure of TSE3-TSI3 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of TSE3-TSI3 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:29.1
occ:1.00
O A:ARG379 2.4 23.4 1.0
O A:ASN384 2.5 34.5 1.0
OD1 A:ASP382 2.5 31.2 1.0
O A:HOH750 2.5 28.1 1.0
OE2 A:GLU375 2.6 25.7 1.0
OE1 A:GLU375 2.6 25.6 1.0
OG A:SER378 2.7 23.8 1.0
CD A:GLU375 2.9 27.8 1.0
CG A:ASP382 3.4 26.6 1.0
C A:ARG379 3.5 26.7 1.0
C A:ASN384 3.6 34.0 1.0
OD2 A:ASP382 3.7 32.5 1.0
CB A:SER378 3.7 27.1 1.0
N A:ARG379 3.9 24.8 1.0
C A:SER378 4.1 24.9 1.0
CA A:ARG379 4.2 26.3 1.0
N A:ASN384 4.3 30.6 1.0
CA A:ASN384 4.4 32.3 0.5
CA A:ASN384 4.4 32.2 0.6
CG A:GLU375 4.4 24.8 1.0
O A:SER378 4.5 24.5 1.0
CB A:ARG379 4.5 23.7 1.0
O A:SER374 4.5 25.8 1.0
N A:ASP382 4.6 25.0 1.0
N A:TRP381 4.6 25.8 1.0
CA A:SER378 4.6 24.0 1.0
N A:PRO380 4.6 24.6 1.0
OG A:SER374 4.6 23.5 1.0
CB A:ASN384 4.6 33.6 0.6
CB A:ASN384 4.6 33.6 0.5
N A:LEU385 4.6 33.0 1.0
CA A:GLU375 4.6 22.4 1.0
CA A:PRO380 4.7 24.0 1.0
CA A:LEU385 4.7 32.7 1.0
CB A:ASP382 4.8 24.0 1.0
O A:HOH624 4.8 30.8 1.0
CB A:GLU375 4.9 25.6 1.0
C A:PRO380 4.9 25.0 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: Sat Dec 12 05:00:32 2020

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