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Calcium 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
Chlorine (Cl) 2 atoms
Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of TSE3-TSI3 Complex with Zinc Ion, PDB code: 4n7s:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4n7s

Go back to Calcium Binding Sites List in 4n7s
Calcium 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 Calcium with other atoms in the Ca 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:Ca511

b:25.1
occ:1.00
OE1 A:GLN254 2.4 21.2 1.0
OD1 A:ASN181 2.5 32.5 1.0
OE2 A:GLU258 2.5 26.1 1.0
O A:HOH606 2.6 23.7 1.0
O A:ASP253 2.6 22.2 1.0
OE1 A:GLU258 2.6 27.0 1.0
O A:HOH658 2.7 26.3 1.0
CD A:GLU258 2.9 24.2 1.0
OE1 A:GLN280 3.0 26.0 1.0
CD A:GLN254 3.4 24.2 1.0
CG A:ASN181 3.7 29.2 1.0
C A:ASP253 3.7 19.4 1.0
CD A:GLN280 3.8 22.3 1.0
CA A:GLN254 4.1 21.6 1.0
NH1 B:ARG60 4.2 17.9 1.0
NE2 A:GLN254 4.2 21.5 1.0
CB A:GLN254 4.2 19.1 1.0
ZN A:ZN502 4.2 36.4 1.0
O A:GLU250 4.4 19.9 1.0
CG A:GLU258 4.4 22.8 1.0
CG A:GLN280 4.4 20.0 1.0
N A:GLN254 4.4 23.4 1.0
CG A:GLN254 4.4 21.0 1.0
O A:HOH742 4.5 35.9 1.0
O A:HOH892 4.5 22.9 1.0
ND2 A:ASN181 4.5 24.7 1.0
CA A:ASN181 4.6 26.8 1.0
CB A:ASN181 4.7 25.0 1.0
NE2 A:GLN280 4.7 25.0 1.0
CB A:ASP253 4.8 20.0 1.0
CA A:ASP253 4.9 19.8 1.0
OE1 A:GLU250 4.9 19.7 1.0
CG A:ASP253 4.9 23.4 1.0

Calcium binding site 2 out of 2 in 4n7s

Go back to Calcium Binding Sites List in 4n7s
Calcium 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 Calcium with other atoms in the Ca 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:Ca512

b:36.4
occ:1.00
OD1 C:ASN181 2.5 37.4 1.0
OE1 C:GLN254 2.5 32.5 1.0
O C:HOH607 2.6 36.9 1.0
O C:ASP253 2.6 32.9 1.0
OE2 C:GLU258 2.6 34.9 1.0
O C:HOH628 2.7 43.1 1.0
OE1 C:GLU258 2.8 37.3 1.0
OE1 C:GLN280 3.1 42.1 1.0
CD C:GLU258 3.1 37.5 1.0
CD C:GLN254 3.4 35.9 1.0
CG C:ASN181 3.7 36.6 1.0
C C:ASP253 3.8 32.5 1.0
CD C:GLN280 3.9 39.8 1.0
NH1 D:ARG60 4.0 30.9 1.0
NE2 C:GLN254 4.0 36.1 1.0
ZN C:ZN502 4.2 47.8 1.0
O C:HOH746 4.2 36.1 1.0
CA C:GLN254 4.2 36.0 1.0
O C:GLU250 4.2 37.0 1.0
CB C:GLN254 4.3 34.0 1.0
ND2 C:ASN181 4.4 38.4 1.0
CG C:GLN280 4.4 29.6 1.0
N C:GLN254 4.5 31.6 1.0
CG C:GLN254 4.5 34.3 1.0
CG C:GLU258 4.6 36.2 1.0
CA C:ASN181 4.7 45.2 1.0
CB C:ASP253 4.7 30.5 1.0
CB C:ASN181 4.7 34.5 1.0
NE2 C:GLN280 4.8 35.8 1.0
OE1 C:GLU250 4.9 36.3 1.0
CG C:ASP253 4.9 34.1 1.0
CA C:ASP253 4.9 35.2 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: Wed Jul 9 00:44:32 2025

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