Atomistry » Calcium » PDB 4l1i-4lls » 4lke
Atomistry »
  Calcium »
    PDB 4l1i-4lls »
      4lke »

Calcium in PDB 4lke: Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution

Protein crystallography data

The structure of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution, PDB code: 4lke was solved by R.U.Kadam, A.Stocker, J.-L.Reymond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.11 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.524, 64.427, 155.462, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 22.3

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution (pdb code 4lke). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution, PDB code: 4lke:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 4lke

Go back to Calcium Binding Sites List in 4lke
Calcium binding site 1 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution


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 Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca202

b:18.1
occ:1.00
 O A:THR104 2.3 18.7 1.0
O A:TYR36 2.4 17.8 1.0
O3 A:GAL201 2.4 16.0 1.0
OD1 A:ASN108 2.4 16.8 1.0
OD2 A:ASP100 2.5 15.7 1.0
O4 A:GAL201 2.5 15.1 1.0
OD1 A:ASN107 2.5 21.9 1.0
C3 A:GAL201 3.4 17.6 1.0
C4 A:GAL201 3.4 19.8 1.0
C A:TYR36 3.4 19.1 1.0
C A:THR104 3.5 21.2 1.0
CG A:ASN108 3.5 19.4 1.0
CG A:ASP100 3.5 19.5 1.0
OG1 A:THR104 3.6 16.2 1.0
CG A:ASN107 3.6 19.7 1.0
OD1 A:ASP100 3.9 16.9 1.0
CA A:TYR36 3.9 16.1 1.0
C2 A:GAL201 3.9 18.7 1.0
CB A:THR104 3.9 19.2 1.0
ND2 A:ASN108 4.0 19.1 1.0
ND2 A:ASN107 4.0 20.4 1.0
CB A:TYR36 4.1 16.2 1.0
CA A:THR104 4.4 17.8 1.0
N A:TYR105 4.4 19.2 1.0
CA A:TYR105 4.4 18.4 1.0
N A:GLY37 4.5 17.3 1.0
N A:ASN108 4.5 18.9 1.0
O2 A:GAL201 4.7 20.3 1.0
O A:HOH307 4.7 21.1 1.0
CA A:GLY37 4.8 18.4 1.0
C A:ASN107 4.8 19.4 1.0
CB A:ASN108 4.8 17.1 1.0
C5 A:GAL201 4.8 21.3 1.0
C A:TYR105 4.8 20.1 1.0
N A:ASN107 4.8 17.9 1.0
CB A:ASP100 4.9 15.3 1.0
CB A:ASN107 4.9 21.1 1.0
CA A:ASN108 4.9 17.8 1.0

Calcium binding site 2 out of 4 in 4lke

Go back to Calcium Binding Sites List in 4lke
Calcium binding site 2 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution


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 Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca202

b:17.7
occ:1.00
 O B:TYR36 2.4 17.1 1.0
O B:THR104 2.4 19.4 1.0
O3 B:GAL201 2.4 15.8 1.0
OD1 B:ASN108 2.5 19.1 1.0
O4 B:GAL201 2.5 15.2 1.0
OD2 B:ASP100 2.5 15.0 1.0
OD1 B:ASN107 2.5 21.3 1.0
C3 B:GAL201 3.3 16.0 1.0
C4 B:GAL201 3.3 16.0 1.0
C B:TYR36 3.4 19.2 1.0
C B:THR104 3.5 20.1 1.0
CG B:ASP100 3.5 18.9 1.0
CG B:ASN108 3.6 19.5 1.0
CG B:ASN107 3.6 18.4 1.0
OG1 B:THR104 3.6 16.4 1.0
C2 B:GAL201 3.8 18.9 1.0
OD1 B:ASP100 3.9 16.4 1.0
CA B:TYR36 3.9 17.2 1.0
CB B:THR104 3.9 19.5 1.0
ND2 B:ASN107 4.0 19.1 1.0
ND2 B:ASN108 4.0 18.9 1.0
CB B:TYR36 4.1 16.6 1.0
CA B:THR104 4.4 16.0 1.0
N B:TYR105 4.4 18.1 1.0
N B:GLY37 4.4 17.9 1.0
CA B:TYR105 4.4 18.5 1.0
O2 B:GAL201 4.6 17.0 1.0
O B:HOH309 4.6 18.8 1.0
N B:ASN108 4.6 20.8 1.0
C5 B:GAL201 4.7 18.6 1.0
CA B:GLY37 4.8 19.2 1.0
C B:ASN107 4.8 20.2 1.0
CB B:ASN108 4.8 17.1 1.0
C B:TYR105 4.8 20.0 1.0
CB B:ASP100 4.9 17.1 1.0
N B:ASN107 4.9 19.9 1.0
CB B:ASN107 4.9 20.3 1.0
CA B:ASN108 4.9 19.0 1.0

Calcium binding site 3 out of 4 in 4lke

Go back to Calcium Binding Sites List in 4lke
Calcium binding site 3 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca202

b:16.9
occ:1.00
 O C:TYR36 2.4 17.8 1.0
O C:THR104 2.4 18.0 1.0
OD1 C:ASN108 2.5 18.9 1.0
OD1 C:ASN107 2.5 20.5 1.0
O3 C:GAL201 2.5 18.7 1.0
OD2 C:ASP100 2.5 14.0 1.0
O4 C:GAL201 2.6 14.8 1.0
C3 C:GAL201 3.3 16.9 1.0
C C:TYR36 3.3 19.3 1.0
C4 C:GAL201 3.4 17.3 1.0
C C:THR104 3.5 19.9 1.0
CG C:ASN108 3.5 17.8 1.0
CG C:ASN107 3.5 19.2 1.0
OG1 C:THR104 3.6 16.6 1.0
CG C:ASP100 3.6 18.8 1.0
CA C:TYR36 3.9 16.2 1.0
C2 C:GAL201 3.9 16.7 1.0
OD1 C:ASP100 3.9 15.1 1.0
ND2 C:ASN107 3.9 21.0 1.0
CB C:THR104 4.0 19.3 1.0
ND2 C:ASN108 4.0 17.1 1.0
CB C:TYR36 4.1 14.6 1.0
N C:TYR105 4.4 16.9 1.0
CA C:THR104 4.4 16.7 1.0
N C:GLY37 4.4 17.2 1.0
CA C:TYR105 4.4 16.7 1.0
O C:HOH325 4.5 24.9 1.0
N C:ASN108 4.5 18.6 1.0
O2 C:GAL201 4.7 20.0 1.0
CA C:GLY37 4.7 17.7 1.0
C C:ASN107 4.8 20.9 1.0
C C:TYR105 4.8 20.0 1.0
C5 C:GAL201 4.8 20.9 1.0
CB C:ASN108 4.8 16.0 1.0
N C:ASN107 4.8 17.4 1.0
CB C:ASN107 4.9 20.1 1.0
CA C:ASN108 4.9 19.1 1.0
CB C:ASP100 4.9 15.6 1.0

Calcium binding site 4 out of 4 in 4lke

Go back to Calcium Binding Sites List in 4lke
Calcium binding site 4 out of 4 in the Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Pseudomonas Aeruginosa Lectin Leca Complexed with Gala-Wri at 1.65 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca202

b:19.7
occ:1.00
 O D:THR104 2.4 19.1 1.0
O D:TYR36 2.4 19.3 1.0
OD1 D:ASN108 2.5 19.5 1.0
O3 D:GAL201 2.5 19.3 1.0
OD2 D:ASP100 2.5 16.1 1.0
OD1 D:ASN107 2.5 22.2 1.0
O4 D:GAL201 2.6 17.1 1.0
C4 D:GAL201 3.3 17.2 1.0
C3 D:GAL201 3.4 21.6 1.0
C D:TYR36 3.4 20.1 1.0
C D:THR104 3.5 21.2 1.0
OG1 D:THR104 3.5 17.9 1.0
CG D:ASP100 3.5 18.4 1.0
CG D:ASN108 3.5 19.3 1.0
CG D:ASN107 3.6 19.7 1.0
OD1 D:ASP100 3.9 17.9 1.0
CB D:THR104 3.9 20.1 1.0
CA D:TYR36 3.9 17.5 1.0
ND2 D:ASN107 4.0 21.5 1.0
ND2 D:ASN108 4.0 19.8 1.0
C2 D:GAL201 4.0 20.6 1.0
CB D:TYR36 4.1 14.4 1.0
CA D:THR104 4.4 18.7 1.0
N D:TYR105 4.4 19.8 1.0
CA D:TYR105 4.4 20.0 1.0
N D:GLY37 4.5 18.0 1.0
O D:HOH349 4.5 24.4 1.0
N D:ASN108 4.6 20.0 1.0
O2 D:GAL201 4.7 23.0 1.0
CA D:GLY37 4.8 19.5 1.0
C5 D:GAL201 4.8 19.3 1.0
C D:TYR105 4.8 20.3 1.0
C D:ASN107 4.8 20.0 1.0
CB D:ASN108 4.8 17.9 1.0
CB D:ASP100 4.8 15.2 1.0
N D:ASN107 4.9 18.5 1.0
CB D:ASN107 4.9 21.9 1.0
CA D:ASN108 4.9 19.7 1.0

Reference:

R.U.Kadam, M.Bergmann, D.Garg, G.Gabrieli, A.Stocker, T.Darbre, J.-L.Reymond. Structure-Based Optimization of the Terminal Tripeptide in Glycopeptide Dendrimer Inhibitors of Pseudomonas Aeruginosa Biofilms Targeting Leca. Chemistry V. 19 17054 2013.
ISSN: ISSN 0947-6539
PubMed: 24307364
DOI: 10.1002/CHEM.201302587
Page generated: Sun Jul 14 09:33:45 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy