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 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy