Calcium in PDB 6y0w: Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution

The structure of Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution, PDB code: 6y0w was solved by S.Baeriswyl, A.Stocker, J.-L.Reymond, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.85 / 2.06
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.999, 68.999, 271.453, 90, 90, 120
R / Rfree (%)	17.5 / 22.2

The binding sites of Calcium atom in the Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution (pdb code 6y0w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution, PDB code: 6y0w:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:46.1 occ:1.00 OD1 A:ASP99 2.3 57.0 1.0 OD1 A:ASP101 2.4 41.9 1.0 OE1 A:GLU95 2.5 48.0 1.0 O3 C:ZDC101 2.5 42.2 1.0 OE2 A:GLU95 2.5 51.2 1.0 O4 C:ZDC101 2.5 48.4 1.0 OD2 A:ASP104 2.5 43.0 1.0 OD1 A:ASP104 2.6 44.0 1.0 CD A:GLU95 2.8 44.8 1.0 CG A:ASP104 2.9 46.8 1.0 CG A:ASP99 3.3 50.3 1.0 C4 C:ZDC101 3.3 45.5 1.0 C3 C:ZDC101 3.4 49.9 1.0 CG A:ASP101 3.4 40.0 1.0 OD2 A:ASP99 3.6 50.5 1.0 CA A:CA302 3.6 46.4 1.0 OD2 A:ASP101 3.9 43.7 1.0 OD1 A:ASP96 4.1 40.2 1.0 O A:HOH426 4.1 46.2 1.0 N A:ASP101 4.1 49.9 1.0 CG A:GLU95 4.3 42.2 1.0 CB A:ASP104 4.4 42.6 1.0 N A:ASN100 4.5 30.0 1.0 N A:TYR102 4.5 39.2 1.0 N A:ASP96 4.5 41.6 1.0 CB A:ASP101 4.6 42.5 1.0 N A:GLY97 4.6 46.5 1.0 CA A:GLU95 4.7 45.0 1.0 CB A:ASP99 4.7 53.0 1.0 C2 C:ZDC101 4.7 45.8 1.0 C5 C:ZDC101 4.7 48.8 1.0 CA A:ASP101 4.8 39.8 1.0 OD1 A:ASN103 4.8 41.0 1.0 N A:ASP99 4.8 53.7 1.0 O2 C:ZDC101 4.8 47.6 1.0 CG A:ASP96 4.9 57.1 1.0 CB A:GLU95 4.9 36.3 1.0 C A:ASP99 4.9 46.4 1.0 CA A:ASN100 5.0 30.0 1.0 C A:ASP101 5.0 36.0 1.0

Calcium binding site 2 out of 4 in the Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:46.4 occ:1.00 OD1 A:ASN103 2.4 41.0 1.0 O A:ASN21 2.4 49.0 1.0 OD1 A:ASP104 2.4 44.0 1.0 OD2 A:ASP101 2.4 43.7 1.0 O3 C:ZDC101 2.5 42.2 1.0 O2 C:ZDC101 2.5 47.6 1.0 O B:GLY114 2.5 42.8 1.0 OD1 A:ASP101 3.1 41.9 1.0 CG A:ASP101 3.1 40.0 1.0 C3 C:ZDC101 3.4 49.9 1.0 C2 C:ZDC101 3.4 45.8 1.0 C B:GLY114 3.4 60.1 1.0 CG A:ASN103 3.5 38.7 1.0 OXT B:GLY114 3.5 46.6 1.0 C A:ASN21 3.6 43.5 1.0 CG A:ASP104 3.6 46.8 1.0 CA A:CA301 3.6 46.1 1.0 C4 C:ZDC101 3.7 45.5 1.0 ND2 A:ASN103 3.9 41.1 1.0 CA A:ASP104 4.1 44.7 1.0 N A:ASP104 4.2 35.6 1.0 CB A:ASN21 4.3 41.3 1.0 CA A:SER22 4.3 48.5 1.0 CB A:SER22 4.3 58.0 1.0 O4 C:ZDC101 4.4 48.4 1.0 N A:SER22 4.4 51.8 1.0 OD2 A:ASP99 4.4 50.5 1.0 C A:ASN103 4.4 58.1 1.0 CB A:ASP104 4.4 42.6 1.0 OD2 A:ASP104 4.5 43.0 1.0 CA A:ASN21 4.6 41.5 1.0 CB A:ASP101 4.6 42.5 1.0 O A:HOH436 4.8 53.7 1.0 C1 C:ZDC101 4.8 47.6 1.0 CB A:ASN103 4.8 40.3 1.0 O A:ASN103 4.8 37.9 1.0 CA B:GLY114 4.8 36.8 1.0 N A:ASN103 4.9 49.0 1.0 CA A:ASN103 4.9 41.5 1.0

Calcium binding site 3 out of 4 in the Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:47.1 occ:1.00 OD1 B:ASP99 2.4 51.2 1.0 OD1 B:ASP101 2.5 45.7 1.0 O4 D:ZDC101 2.5 42.4 1.0 OE2 B:GLU95 2.5 41.6 1.0 O3 D:ZDC101 2.5 41.0 1.0 OD1 B:ASP104 2.5 39.2 1.0 OE1 B:GLU95 2.5 42.8 1.0 OD2 B:ASP104 2.6 41.1 1.0 CD B:GLU95 2.8 75.8 1.0 CG B:ASP104 2.9 44.0 1.0 C4 D:ZDC101 3.3 46.1 1.0 CG B:ASP99 3.3 55.1 1.0 C3 D:ZDC101 3.4 38.1 1.0 CG B:ASP101 3.4 49.5 1.0 OD2 B:ASP99 3.6 45.3 1.0 CA B:CA302 3.6 44.6 1.0 OD2 B:ASP101 3.9 47.4 1.0 O B:HOH423 4.0 45.1 1.0 N B:ASP101 4.1 42.5 1.0 OD1 B:ASP96 4.2 40.0 1.0 CG B:GLU95 4.3 50.9 1.0 N B:TYR102 4.4 33.4 1.0 CB B:ASP104 4.4 33.4 1.0 N B:ASN100 4.5 52.1 1.0 N B:ASP96 4.5 40.3 1.0 CB B:ASP101 4.6 45.9 1.0 N B:GLY97 4.6 47.0 1.0 CA B:GLU95 4.7 45.6 1.0 OD1 B:ASN103 4.7 39.8 1.0 CB B:ASP99 4.7 49.2 1.0 C5 D:ZDC101 4.7 42.0 1.0 C2 D:ZDC101 4.7 42.8 1.0 CA B:ASP101 4.8 42.6 1.0 N B:ASP99 4.8 44.0 1.0 O2 D:ZDC101 4.9 43.8 1.0 CB B:GLU95 4.9 38.7 1.0 CG B:ASP96 4.9 52.3 1.0 C B:ASP101 5.0 38.0 1.0 N B:ASP104 5.0 38.6 1.0

Calcium binding site 4 out of 4 in the Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:44.6 occ:1.00 OD1 B:ASN103 2.4 39.8 1.0 O B:ASN21 2.4 45.7 1.0 O3 D:ZDC101 2.4 41.0 1.0 OD2 B:ASP101 2.5 47.4 1.0 OD2 B:ASP104 2.5 41.1 1.0 O A:GLY114 2.5 46.4 1.0 O2 D:ZDC101 2.6 43.8 1.0 OD1 B:ASP101 3.1 45.7 1.0 CG B:ASP101 3.1 49.5 1.0 C3 D:ZDC101 3.4 38.1 1.0 CG B:ASN103 3.4 40.2 1.0 C A:GLY114 3.5 71.4 1.0 C2 D:ZDC101 3.5 42.8 1.0 C B:ASN21 3.6 62.8 1.0 CA B:CA301 3.6 47.1 1.0 OXT A:GLY114 3.6 47.8 1.0 CG B:ASP104 3.7 44.0 1.0 C4 D:ZDC101 3.8 46.1 1.0 ND2 B:ASN103 3.9 38.5 1.0 CB B:ASN21 4.2 42.5 1.0 CA B:ASP104 4.2 49.6 1.0 N B:ASP104 4.3 38.6 1.0 OD2 B:ASP99 4.3 45.3 1.0 O4 D:ZDC101 4.4 42.4 1.0 N B:SER22 4.4 44.9 1.0 CA B:SER22 4.5 62.4 1.0 O B:HOH417 4.5 49.9 1.0 CA B:ASN21 4.5 47.9 1.0 C B:ASN103 4.5 55.8 1.0 CB B:ASP104 4.6 33.4 1.0 CB B:ASP101 4.6 45.9 1.0 OD1 B:ASP104 4.6 39.2 1.0 CB B:SER22 4.7 41.3 1.0 CB B:ASN103 4.8 42.7 1.0 C1 D:ZDC101 4.8 44.5 1.0 CA A:GLY114 4.8 49.1 1.0 N B:ASN103 4.9 49.3 1.0 O B:ASN103 4.9 50.9 1.0 CA B:ASN103 5.0 43.8 1.0

S.Baeriswyl, A.Stocker, J.-L.Reymond. Fucosylated Antimicrobial Linear Peptide CFUCRH46D in Complex with the Fucose Binding Lectin Lecb From Pseudomonas Aeruginosa at 2.1 Angstrom Resolution To Be Published.