Calcium in PDB 4ce8: Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium

The structure of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium, PDB code: 4ce8 was solved by M.G.Cuypers, E.P.Mitchell, E.Mossou, M.Pokorna, M.Wimmerova, A.Imberty, M.Moulin, M.Haertlein, V.T.Forsyth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.463 / 0.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.480, 72.490, 54.610, 90.00, 94.10, 90.00
R / Rfree (%)	12.47 / 14.05

The binding sites of Calcium atom in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium (pdb code 4ce8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium, PDB code: 4ce8:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca997 b:4.0 occ:1.00 OD1 A:ASP99 2.4 6.0 1.0 OD1 A:ASP101 2.4 4.8 1.0 OE2 A:GLU95 2.4 4.6 1.0 OD2 A:ASP104 2.4 4.3 1.0 OE1 A:GLU95 2.5 4.5 1.0 O3 A:FUC999 2.5 4.5 1.0 O2 A:FUC999 2.5 5.4 1.0 OD1 A:ASP104 2.6 4.0 1.0 CD A:GLU95 2.8 4.6 1.0 CG A:ASP104 2.9 3.8 1.0 C2 A:FUC999 3.3 5.3 1.0 C3 A:FUC999 3.4 4.7 1.0 CG A:ASP99 3.4 6.0 1.0 D A:ASP101 3.4 6.7 1.0 CG A:ASP101 3.4 5.1 1.0 H2 A:FUC999 3.4 6.3 1.0 H3 A:FUC999 3.7 5.6 1.0 OD2 A:ASP99 3.7 6.2 1.0 CA A:CA998 3.7 3.8 1.0 D A:TYR102 3.8 5.3 1.0 D A:ASP96 3.8 5.5 1.0 DA A:GLU95 3.9 4.6 1.0 OD2 A:ASP101 4.0 4.8 1.0 D A:ASN100 4.0 8.1 1.0 D A:GLY97 4.0 6.8 1.0 D A:ASP99 4.1 7.7 1.0 O A:HOH3246 4.1 13.2 1.0 N A:ASP101 4.1 5.5 1.0 OD1 A:ASP96 4.3 4.4 0.6 CG A:GLU95 4.3 4.8 1.0 CB A:ASP104 4.4 3.9 1.0 N A:TYR102 4.4 4.4 1.0 D A:ASN103 4.4 4.7 1.0 N A:ASN100 4.5 6.7 1.0 DA3 A:GLY97 4.5 8.1 1.0 N A:ASP96 4.5 4.5 1.0 CB A:ASP101 4.6 5.8 1.0 N A:GLY97 4.6 5.7 1.0 DG3 A:GLU95 4.6 5.8 1.0 D A:ASP104 4.7 4.4 1.0 C4 A:FUC999 4.7 5.4 1.0 CA A:GLU95 4.7 3.9 1.0 CA A:ASP101 4.7 5.5 1.0 CB A:ASP99 4.7 6.4 1.0 C1 A:FUC999 4.7 6.3 1.0 DB2 A:ASP104 4.7 4.7 1.0 OD1 A:ASN103 4.7 4.2 1.0 N A:ASP99 4.7 6.4 1.0 DG2 A:GLU95 4.8 5.8 1.0 O4 A:FUC999 4.8 4.9 1.0 DA A:ASN100 4.8 8.2 1.0 DB3 A:ASP104 4.8 4.7 1.0 DB3 A:ASP101 4.9 6.9 1.0 CB A:GLU95 4.9 4.6 1.0 CG A:ASP96 5.0 4.6 0.8 DB2 A:GLU95 5.0 5.5 1.0 D A:THR98 5.0 9.1 1.0 CA A:GLY97 5.0 6.7 1.0 C A:ASP101 5.0 4.9 1.0

Calcium binding site 2 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:3.8 occ:1.00 OD1 A:ASN103 2.3 4.2 1.0 OD1 A:ASP104 2.4 4.0 1.0 O A:ASN21 2.4 4.2 1.0 OD2 A:ASP101 2.4 4.8 1.0 O B:GLY114 2.4 5.1 1.0 O3 A:FUC999 2.5 4.5 1.0 O4 A:FUC999 2.5 4.9 1.0 OD1 A:ASP101 3.0 4.8 1.0 CG A:ASP101 3.1 5.1 1.0 H2 A:FUC999 3.2 6.3 1.0 DDD2 A:ASN103 3.4 5.9 1.0 C3 A:FUC999 3.4 4.7 1.0 CG A:ASN103 3.4 4.0 1.0 C B:GLY114 3.4 5.8 1.0 C4 A:FUC999 3.4 5.4 1.0 DA A:ASP104 3.5 4.4 1.0 C A:ASN21 3.6 3.7 1.0 CG A:ASP104 3.6 3.8 1.0 DB3 A:ASN21 3.6 5.1 1.0 OXT B:GLY114 3.7 7.4 1.0 CA A:CA997 3.7 4.0 1.0 H4 A:FUC999 3.7 6.5 1.0 ND2 A:ASN103 3.8 4.9 1.0 C2 A:FUC999 3.8 5.3 1.0 DA A:SER22 3.8 5.8 1.0 DB2 A:ASN21 3.8 5.1 1.0 DB2 A:SER22 4.0 6.2 1.0 CB A:ASN21 4.1 4.3 1.0 D A:ASN103 4.2 4.7 1.0 CA A:ASP104 4.2 3.6 1.0 N A:ASP104 4.3 3.6 1.0 H3 A:FUC999 4.3 5.6 1.0 CA A:SER22 4.4 4.8 1.0 O2 A:FUC999 4.4 5.4 1.0 N A:SER22 4.4 4.5 1.0 OD2 A:ASP104 4.4 4.3 1.0 C A:ASN103 4.5 3.5 1.0 CB A:ASP104 4.5 3.9 1.0 OD2 A:ASP99 4.5 6.2 1.0 CA A:ASN21 4.5 3.9 1.0 CB A:ASP101 4.5 5.8 1.0 D A:ASP104 4.6 4.4 1.0 O A:HOH2115 4.6 9.2 0.9 DDD1 A:ASN103 4.6 5.9 1.0 CB A:SER22 4.7 5.2 1.0 DB2 A:ASP101 4.7 6.9 1.0 CB A:ASN103 4.7 3.8 1.0 CA B:GLY114 4.8 5.5 1.0 C5 A:FUC999 4.8 6.4 1.0 O A:ASN103 4.8 3.8 1.0 DB3 A:ASP104 4.8 4.7 1.0 N A:ASN103 4.9 3.9 1.0 CA A:ASN103 4.9 3.8 1.0 DB3 A:ASP101 4.9 6.9 1.0 OD1 A:ASP99 5.0 6.0 1.0

Calcium binding site 3 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca997 b:5.9 occ:1.00 OD1 B:ASP101 2.4 6.8 1.0 OD1 B:ASP99 2.4 9.2 1.0 OD2 B:ASP104 2.4 5.7 1.0 OE2 B:GLU95 2.4 6.5 1.0 OE1 B:GLU95 2.5 6.3 1.0 O3 B:FUC999 2.5 6.3 1.0 O2 B:FUC999 2.5 7.0 1.0 OD1 B:ASP104 2.6 5.3 1.0 CD B:GLU95 2.8 6.2 1.0 CG B:ASP104 2.9 4.7 1.0 C2 B:FUC999 3.3 7.1 1.0 C3 B:FUC999 3.4 6.8 1.0 D B:ASP101 3.4 9.8 1.0 CG B:ASP99 3.4 9.2 1.0 CG B:ASP101 3.4 6.9 1.0 H2 B:FUC999 3.4 8.6 1.0 H3 B:FUC999 3.7 8.2 1.0 OD2 B:ASP99 3.7 9.5 1.0 CA B:CA998 3.8 5.0 1.0 D B:ASP96 3.8 7.2 1.0 D B:TYR102 3.8 7.5 1.0 DA B:GLU95 3.9 6.8 1.0 OD2 B:ASP101 4.0 7.0 1.0 D B:GLY97 4.1 9.8 1.0 O B:HOH2120 4.1 11.6 0.7 D B:ASP99 4.1 13.1 1.0 N B:ASP101 4.1 8.2 1.0 D B:ASN100 4.1 11.4 1.0 OD1 B:ASP96 4.2 8.1 1.0 CG B:GLU95 4.3 6.7 1.0 CB B:ASP104 4.4 4.6 1.0 N B:TYR102 4.4 6.2 1.0 D B:ASN103 4.4 6.0 1.0 N B:ASN100 4.5 9.5 1.0 N B:ASP96 4.5 6.0 1.0 CB B:ASP101 4.5 7.8 1.0 DA3 B:GLY97 4.6 11.4 1.0 N B:GLY97 4.6 8.2 1.0 DG3 B:GLU95 4.6 8.0 1.0 D B:ASP104 4.7 5.0 1.0 C4 B:FUC999 4.7 6.7 1.0 CA B:ASP101 4.7 8.0 1.0 DB2 B:ASP104 4.7 5.5 1.0 CA B:GLU95 4.7 5.7 1.0 C1 B:FUC999 4.7 8.2 1.0 CB B:ASP99 4.7 10.7 1.0 N B:ASP99 4.8 10.9 1.0 OD1 B:ASN103 4.8 4.8 1.0 DG2 B:GLU95 4.8 8.0 1.0 O4 B:FUC999 4.8 6.5 1.0 DB3 B:ASP101 4.8 9.4 1.0 DB3 B:ASP104 4.8 5.5 1.0 DA B:ASN100 4.9 12.3 1.0 CB B:GLU95 4.9 6.2 1.0 CG B:ASP96 4.9 6.8 1.0 DB2 B:GLU95 4.9 7.4 1.0 C B:ASP101 5.0 7.2 1.0

Calcium binding site 4 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca998 b:5.0 occ:1.00 OD1 B:ASN103 2.3 4.8 1.0 O B:ASN21 2.4 4.9 1.0 OD1 B:ASP104 2.4 5.3 1.0 OD2 B:ASP101 2.4 7.0 1.0 O A:GLY114 2.4 6.2 1.0 O4 B:FUC999 2.5 6.5 1.0 O3 B:FUC999 2.5 6.3 1.0 OD1 B:ASP101 3.0 6.8 1.0 CG B:ASP101 3.1 6.9 1.0 H2 B:FUC999 3.2 8.6 1.0 CG B:ASN103 3.4 4.9 1.0 DDD2 B:ASN103 3.4 7.4 1.0 C3 B:FUC999 3.4 6.8 1.0 C A:GLY114 3.4 6.6 1.0 C4 B:FUC999 3.4 6.7 1.0 DA B:ASP104 3.5 5.1 1.0 C B:ASN21 3.5 4.3 1.0 CG B:ASP104 3.6 4.7 1.0 DB3 B:ASN21 3.7 5.7 1.0 OXT A:GLY114 3.7 8.6 1.0 DA B:SER22 3.7 6.3 1.0 CA B:CA997 3.8 5.9 1.0 H4 B:FUC999 3.8 8.1 1.0 ND2 B:ASN103 3.8 6.2 1.0 C2 B:FUC999 3.8 7.1 1.0 DB2 B:ASN21 3.9 5.7 1.0 DB2 B:SER22 3.9 6.8 1.0 D B:ASN103 4.2 6.0 1.0 CB B:ASN21 4.2 4.7 1.0 CA B:ASP104 4.2 4.2 1.0 N B:ASP104 4.3 4.1 1.0 CA B:SER22 4.4 5.3 1.0 H3 B:FUC999 4.4 8.2 1.0 N B:SER22 4.4 4.8 1.0 C B:ASN103 4.4 4.2 1.0 O A:HOH2220 4.4 12.8 0.7 OD2 B:ASP104 4.5 5.7 1.0 O2 B:FUC999 4.5 7.0 1.0 CB B:ASP104 4.5 4.6 1.0 D B:ASP104 4.5 5.0 1.0 OD2 B:ASP99 4.5 9.5 1.0 CA B:ASN21 4.5 4.5 1.0 CB B:ASP101 4.5 7.8 1.0 CB B:SER22 4.6 5.6 1.0 DDD1 B:ASN103 4.6 7.4 1.0 CB B:ASN103 4.7 5.1 1.0 DB2 B:ASP101 4.7 9.4 1.0 O B:ASN103 4.8 4.6 1.0 C5 B:FUC999 4.8 7.6 1.0 CA A:GLY114 4.8 7.5 1.0 DB3 B:ASP104 4.8 5.5 1.0 N B:ASN103 4.8 5.0 1.0 CA B:ASN103 4.9 4.6 1.0 DB3 B:ASP101 4.9 9.4 1.0 H63 B:FUC999 5.0 11.0 1.0

Calcium binding site 5 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca997 b:4.6 occ:1.00 OD1 C:ASP99 2.3 7.0 1.0 OD1 C:ASP101 2.4 5.4 1.0 OE2 C:GLU95 2.4 5.3 1.0 OD2 C:ASP104 2.4 5.0 1.0 OE1 C:GLU95 2.5 4.6 1.0 O3 C:FUC999 2.5 5.2 1.0 O2 C:FUC999 2.5 6.1 1.0 OD1 C:ASP104 2.6 4.5 1.0 CD C:GLU95 2.8 4.5 1.0 CG C:ASP104 2.9 4.3 1.0 C2 C:FUC999 3.3 6.2 1.0 CG C:ASP99 3.4 6.7 1.0 D C:ASP101 3.4 6.4 1.0 C3 C:FUC999 3.4 6.2 1.0 H2 C:FUC999 3.4 7.5 1.0 CG C:ASP101 3.4 5.0 1.0 OD2 C:ASP99 3.7 7.6 1.0 H3 C:FUC999 3.7 7.5 1.0 CA C:CA998 3.7 4.3 1.0 D C:TYR102 3.8 5.6 1.0 D C:ASP96 3.8 5.8 1.0 DA C:GLU95 3.9 5.2 1.0 OD2 C:ASP101 4.0 5.3 1.0 D C:GLY97 4.0 7.5 1.0 D C:ASN100 4.1 7.2 1.0 D C:ASP99 4.1 8.9 1.0 O C:HOH2104 4.1 10.1 0.8 N C:ASP101 4.1 5.3 1.0 OD1 C:ASP96 4.2 7.7 1.0 CG C:GLU95 4.3 4.8 1.0 CB C:ASP104 4.4 4.6 1.0 D C:ASN103 4.4 4.9 1.0 N C:TYR102 4.5 4.7 1.0 N C:ASN100 4.5 6.0 1.0 N C:ASP96 4.5 4.8 1.0 CB C:ASP101 4.6 5.9 1.0 DG3 C:GLU95 4.6 5.8 1.0 N C:GLY97 4.6 6.3 1.0 DA3 C:GLY97 4.6 9.1 1.0 DB2 C:ASP104 4.7 5.5 1.0 D C:ASP104 4.7 4.5 1.0 C4 C:FUC999 4.7 6.2 1.0 CA C:ASP101 4.7 5.4 1.0 CB C:ASP99 4.7 7.8 1.0 CA C:GLU95 4.7 4.3 1.0 C1 C:FUC999 4.7 7.7 1.0 OD1 C:ASN103 4.7 4.3 1.0 N C:ASP99 4.7 7.4 1.0 DG2 C:GLU95 4.8 5.8 1.0 O4 C:FUC999 4.8 5.7 1.0 DB3 C:ASP104 4.8 5.5 1.0 DA C:ASN100 4.8 7.0 1.0 DB3 C:ASP101 4.9 7.0 1.0 CB C:GLU95 4.9 4.8 1.0 CG C:ASP96 5.0 5.9 1.0 DB2 C:GLU95 5.0 5.7 1.0 C C:ASP99 5.0 6.5 1.0

Calcium binding site 6 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca998 b:4.3 occ:1.00 OD1 C:ASN103 2.3 4.3 1.0 OD1 C:ASP104 2.4 4.5 1.0 O C:ASN21 2.4 4.7 1.0 OD2 C:ASP101 2.4 5.3 1.0 O D:GLY114 2.4 5.8 1.0 O4 C:FUC999 2.5 5.7 1.0 O3 C:FUC999 2.5 5.2 1.0 OD1 C:ASP101 3.0 5.4 1.0 CG C:ASP101 3.1 5.0 1.0 H2 C:FUC999 3.2 7.5 1.0 DDD2 C:ASN103 3.4 7.1 1.0 CG C:ASN103 3.4 4.5 1.0 C3 C:FUC999 3.4 6.2 1.0 C4 C:FUC999 3.4 6.2 1.0 C D:GLY114 3.4 6.4 1.0 DA C:ASP104 3.5 4.9 1.0 C C:ASN21 3.5 4.4 1.0 CG C:ASP104 3.6 4.3 1.0 DB3 C:ASN21 3.7 5.5 1.0 OXT D:GLY114 3.7 8.2 1.0 CA C:CA997 3.7 4.6 1.0 H4 C:FUC999 3.8 7.4 1.0 ND2 C:ASN103 3.8 5.9 1.0 DA C:SER22 3.8 6.4 1.0 C2 C:FUC999 3.8 6.2 1.0 DB2 C:ASN21 3.8 5.5 1.0 DB2 C:SER22 4.0 7.4 1.0 CB C:ASN21 4.1 4.5 1.0 D C:ASN103 4.2 4.9 1.0 CA C:ASP104 4.2 4.1 1.0 N C:ASP104 4.3 3.8 1.0 H3 C:FUC999 4.4 7.5 1.0 O C:HOH2197 4.4 8.2 0.6 CA C:SER22 4.4 5.3 1.0 N C:SER22 4.4 4.9 1.0 O2 C:FUC999 4.4 6.1 1.0 OD2 C:ASP104 4.5 5.0 1.0 C C:ASN103 4.5 3.8 1.0 CB C:ASP104 4.5 4.6 1.0 CB C:ASP101 4.5 5.9 1.0 CA C:ASN21 4.5 4.2 1.0 OD2 C:ASP99 4.5 7.6 1.0 D C:ASP104 4.6 4.5 1.0 DDD1 C:ASN103 4.6 7.1 1.0 CB C:SER22 4.7 6.2 1.0 DB2 C:ASP101 4.7 7.0 1.0 CB C:ASN103 4.7 4.3 1.0 C5 C:FUC999 4.8 8.1 1.0 O C:ASN103 4.8 4.0 1.0 DB3 C:ASP104 4.8 5.5 1.0 CA D:GLY114 4.8 6.5 1.0 N C:ASN103 4.9 4.1 1.0 DB3 C:ASP101 4.9 7.0 1.0 CA C:ASN103 4.9 4.0 1.0 H61 C:FUC999 5.0 10.6 1.0

Calcium binding site 7 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca997 b:4.6 occ:1.00 OD1 D:ASP99 2.4 7.0 1.0 OD1 D:ASP101 2.4 5.3 1.0 OE2 D:GLU95 2.4 5.6 1.0 OD2 D:ASP104 2.4 4.8 1.0 O3 D:FUC999 2.5 4.8 1.0 OE1 D:GLU95 2.5 5.2 1.0 O2 D:FUC999 2.5 5.5 1.0 OD1 D:ASP104 2.6 4.3 1.0 CD D:GLU95 2.8 4.8 1.0 CG D:ASP104 2.9 3.9 1.0 C2 D:FUC999 3.3 5.6 1.0 D D:ASP101 3.4 7.8 1.0 C3 D:FUC999 3.4 5.4 1.0 CG D:ASP99 3.4 7.0 1.0 CG D:ASP101 3.4 5.1 1.0 H2 D:FUC999 3.4 6.8 1.0 H3 D:FUC999 3.7 6.5 1.0 OD2 D:ASP99 3.7 8.0 1.0 CA D:CA998 3.7 4.0 1.0 D D:TYR102 3.8 6.1 1.0 D D:ASP96 3.8 6.1 1.0 DA D:GLU95 3.9 5.9 1.0 OD2 D:ASP101 4.0 5.3 1.0 D D:ASP99 4.1 10.4 1.0 D D:GLY97 4.1 8.7 1.0 D D:ASN100 4.1 9.7 1.0 O D:HOH2154 4.1 13.4 0.9 N D:ASP101 4.1 6.5 1.0 OD1 D:ASP96 4.2 6.7 1.0 CG D:GLU95 4.3 5.6 1.0 CB D:ASP104 4.4 4.3 1.0 N D:TYR102 4.4 5.1 1.0 D D:ASN103 4.5 5.1 1.0 N D:ASN100 4.5 8.1 1.0 DA3 D:GLY97 4.5 10.3 1.0 N D:ASP96 4.5 5.1 1.0 CB D:ASP101 4.6 6.0 1.0 DG3 D:GLU95 4.6 6.7 1.0 N D:GLY97 4.6 7.2 1.0 C4 D:FUC999 4.7 5.2 1.0 CA D:ASP101 4.7 6.1 1.0 DB2 D:ASP104 4.7 5.2 1.0 CA D:GLU95 4.7 4.9 1.0 D D:ASP104 4.7 4.6 1.0 CB D:ASP99 4.7 8.8 1.0 C1 D:FUC999 4.7 6.3 1.0 N D:ASP99 4.7 8.7 1.0 OD1 D:ASN103 4.7 4.3 1.0 DG2 D:GLU95 4.8 6.7 1.0 O4 D:FUC999 4.8 4.9 1.0 DB3 D:ASP104 4.8 5.2 1.0 DA D:ASN100 4.9 9.5 1.0 DB3 D:ASP101 4.9 7.2 1.0 CB D:GLU95 4.9 5.4 1.0 DB2 D:GLU95 4.9 6.5 1.0 CG D:ASP96 4.9 5.6 1.0 D D:THR98 5.0 10.7 1.0 C D:ASP99 5.0 8.0 1.0 CA D:GLY97 5.0 8.6 1.0 C D:ASP101 5.0 5.5 1.0

Calcium binding site 8 out of 8 in the Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L-Fucose and Calcium within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca998 b:4.0 occ:1.00 OD1 D:ASN103 2.3 4.3 1.0 OD1 D:ASP104 2.4 4.3 1.0 O D:ASN21 2.4 3.9 1.0 O C:GLY114 2.4 5.1 1.0 OD2 D:ASP101 2.4 5.3 1.0 O4 D:FUC999 2.5 4.9 1.0 O3 D:FUC999 2.5 4.8 1.0 OD1 D:ASP101 3.0 5.3 1.0 CG D:ASP101 3.1 5.1 1.0 H2 D:FUC999 3.2 6.8 1.0 DDD2 D:ASN103 3.4 6.6 1.0 CG D:ASN103 3.4 4.2 1.0 C3 D:FUC999 3.4 5.4 1.0 C C:GLY114 3.4 6.0 1.0 C4 D:FUC999 3.4 5.2 1.0 DA D:ASP104 3.5 4.7 1.0 C D:ASN21 3.6 3.8 1.0 CG D:ASP104 3.6 3.9 1.0 DB3 D:ASN21 3.6 5.0 1.0 OXT C:GLY114 3.7 8.1 1.0 CA D:CA997 3.7 4.6 1.0 H4 D:FUC999 3.7 6.3 1.0 ND2 D:ASN103 3.7 5.5 1.0 DA D:SER22 3.8 5.1 1.0 C2 D:FUC999 3.8 5.6 1.0 DB2 D:ASN21 3.8 5.0 1.0 DB2 D:SER22 4.0 5.9 1.0 CB D:ASN21 4.1 4.1 1.0 D D:ASN103 4.1 5.1 1.0 CA D:ASP104 4.2 3.9 1.0 N D:ASP104 4.3 3.9 1.0 H3 D:FUC999 4.4 6.5 1.0 O C:HOH2129 4.4 12.8 0.8 CA D:SER22 4.4 4.3 1.0 N D:SER22 4.4 4.1 1.0 O2 D:FUC999 4.4 5.5 1.0 OD2 D:ASP104 4.4 4.8 1.0 C D:ASN103 4.4 3.7 1.0 CB D:ASP104 4.5 4.3 1.0 CA D:ASN21 4.5 4.0 1.0 CB D:ASP101 4.5 6.0 1.0 D D:ASP104 4.5 4.6 1.0 OD2 D:ASP99 4.6 8.0 1.0 DDD1 D:ASN103 4.6 6.6 1.0 CB D:SER22 4.7 4.9 1.0 DB2 D:ASP101 4.7 7.2 1.0 CB D:ASN103 4.7 4.4 1.0 C5 D:FUC999 4.8 5.7 1.0 O D:ASN103 4.8 4.0 1.0 CA C:GLY114 4.8 6.2 1.0 DB3 D:ASP104 4.8 5.2 1.0 N D:ASN103 4.8 4.2 1.0 CA D:ASN103 4.9 4.1 1.0 DB3 D:ASP101 4.9 7.2 1.0 H63 D:FUC999 5.0 7.3 1.0 OD1 D:ASP99 5.0 7.0 1.0

E.Mossou, M.G.Cuypers, E.P.Mitchell, S.Russi, M.Pokorna, M.Wimmerova, A.Imberty, S.Mcsweeney, M.Haertlein, V.T.Forsyth. Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L Fucose and Calcium To Be Published.