Calcium in PDB 7psy: X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose

The structure of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose, PDB code: 7psy was solved by L.Gajdos, M.P.Blakeley, M.Haertlein, T.V.Forsyth, J.M.Devos, A.Imberty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.53 / 0.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.6, 72.989, 55.19, 90, 94.58, 90
R / Rfree (%)	11.6 / 13.1

The binding sites of Calcium atom in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose (pdb code 7psy). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose, PDB code: 7psy:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:8.4 occ:1.00 OD1 A:ASP99 2.3 10.4 1.0 OD1 A:ASP101 2.4 9.3 1.0 OD2 A:ASP104 2.4 8.7 1.0 OE2 A:GLU95 2.4 9.1 1.0 OE1 A:GLU95 2.5 9.0 1.0 O3 A:FUC201 2.5 8.9 1.0 O2 A:FUC201 2.5 8.7 1.0 OD1 A:ASP104 2.7 8.3 1.0 CD A:GLU95 2.8 9.1 1.0 CG A:ASP104 2.9 7.9 1.0 C2 A:FUC201 3.3 8.8 1.0 C3 A:FUC201 3.4 8.9 1.0 H A:ASP101 3.4 12.3 1.0 CG A:ASP99 3.4 10.1 1.0 CG A:ASP101 3.4 8.8 1.0 OD2 A:ASP99 3.7 11.3 1.0 H A:TYR102 3.7 11.1 1.0 H A:ASP96 3.7 10.0 1.0 CA A:CA203 3.8 8.1 1.0 HA A:GLU95 3.9 10.2 1.0 OD2 A:ASP101 4.0 9.2 1.0 H A:ASP99 4.1 13.9 1.0 O A:HOH416 4.1 12.8 1.0 H A:ASN100 4.1 13.4 1.0 H A:GLY97 4.1 12.1 1.0 N A:ASP101 4.1 10.3 1.0 OD1 A:ASP96 4.2 9.3 1.0 CG A:GLU95 4.3 9.0 1.0 CB A:ASP104 4.4 8.6 1.0 N A:TYR102 4.4 9.2 1.0 H A:ASN103 4.4 9.8 1.0 N A:ASN100 4.5 11.2 1.0 N A:ASP96 4.5 8.3 1.0 CB A:ASP101 4.5 9.6 1.0 HG3 A:GLU95 4.6 10.8 1.0 HA3 A:GLY97 4.6 13.2 1.0 N A:GLY97 4.7 10.1 1.0 C4 A:FUC201 4.7 9.3 1.0 CA A:ASP101 4.7 9.9 1.0 CA A:GLU95 4.7 8.5 1.0 HB2 A:ASP104 4.7 10.3 1.0 H A:ASP104 4.7 9.6 1.0 CB A:ASP99 4.7 11.5 1.0 N A:ASP99 4.7 11.6 1.0 C1 A:FUC201 4.8 9.0 1.0 OD1 A:ASN103 4.8 8.2 1.0 HG2 A:GLU95 4.8 10.8 1.0 O4 A:FUC201 4.8 8.7 1.0 HB3 A:ASP101 4.8 11.6 1.0 HB3 A:ASP104 4.8 10.3 1.0 HA A:ASN100 4.9 13.8 1.0 CG A:ASP96 4.9 9.0 1.0 CB A:GLU95 4.9 9.1 1.0 HB2 A:GLU95 4.9 10.9 1.0 C A:ASP101 5.0 9.1 1.0 C A:ASP99 5.0 11.1 1.0 H A:THR98 5.0 13.6 1.0

Calcium binding site 2 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:8.1 occ:1.00 OD1 A:ASN103 2.3 8.2 1.0 OD1 A:ASP104 2.4 8.3 1.0 O A:ASN21 2.4 8.4 1.0 O B:GLY114 2.4 8.9 1.0 OD2 A:ASP101 2.4 9.2 1.0 O4 A:FUC201 2.5 8.7 1.0 O3 A:FUC201 2.5 8.9 1.0 OD1 A:ASP101 3.1 9.3 1.0 CG A:ASP101 3.1 8.8 1.0 HD21 A:ASN103 3.4 11.1 1.0 CG A:ASN103 3.4 8.1 1.0 C3 A:FUC201 3.4 8.9 1.0 C B:GLY114 3.4 8.9 1.0 C4 A:FUC201 3.4 9.3 1.0 HA A:ASP104 3.5 9.1 1.0 C A:ASN21 3.6 8.3 1.0 CG A:ASP104 3.6 7.9 1.0 HB3 A:ASN21 3.6 9.8 1.0 OXT B:GLY114 3.7 10.3 1.0 ND2 A:ASN103 3.8 9.2 1.0 CA A:CA202 3.8 8.4 1.0 HA A:SER22 3.8 10.0 1.0 HB2 A:ASN21 3.8 9.8 1.0 C2 A:FUC201 3.8 8.8 1.0 HB2 A:SER22 4.0 9.8 1.0 CB A:ASN21 4.1 8.2 1.0 H A:ASN103 4.2 9.8 1.0 CA A:ASP104 4.2 7.6 1.0 N A:ASP104 4.3 8.0 1.0 O A:HOH350 4.4 15.4 1.0 CA A:SER22 4.4 8.3 1.0 N A:SER22 4.4 7.9 1.0 OD2 A:ASP104 4.4 8.7 1.0 O2 A:FUC201 4.5 8.7 1.0 CB A:ASP104 4.5 8.6 1.0 C A:ASN103 4.5 8.2 1.0 CA A:ASN21 4.5 7.8 1.0 CB A:ASP101 4.6 9.6 1.0 OD2 A:ASP99 4.6 11.3 1.0 H A:ASP104 4.6 9.6 1.0 HD22 A:ASN103 4.6 11.1 1.0 CB A:SER22 4.7 8.2 1.0 CB A:ASN103 4.7 8.3 1.0 HB2 A:ASP101 4.7 11.6 1.0 C5 A:FUC201 4.7 9.1 1.0 CA B:GLY114 4.8 9.4 1.0 O A:ASN103 4.8 8.2 1.0 HB3 A:ASP104 4.8 10.3 1.0 O A:HOH464 4.8 37.1 1.0 N A:ASN103 4.9 8.1 1.0 CA A:ASN103 4.9 8.0 1.0 HB3 A:ASP101 4.9 11.6 1.0 OD1 A:ASP99 5.0 10.4 1.0

Calcium binding site 3 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca203 b:8.1 occ:1.00 OD1 B:ASN103 2.3 8.7 1.0 OD1 B:ASP104 2.4 8.2 1.0 O B:ASN21 2.4 8.3 1.0 OD2 B:ASP101 2.4 8.8 1.0 O A:GLY114 2.4 8.9 1.0 O3 B:FUC201 2.5 8.5 1.0 O4 B:FUC201 2.5 9.2 1.0 OD1 B:ASP101 3.0 8.7 1.0 CG B:ASP101 3.1 8.8 1.0 HD21 B:ASN103 3.3 10.8 1.0 CG B:ASN103 3.4 8.1 1.0 C3 B:FUC201 3.4 9.3 1.0 C4 B:FUC201 3.4 9.6 1.0 C A:GLY114 3.4 9.5 1.0 HA B:ASP104 3.5 9.4 1.0 C B:ASN21 3.5 8.2 1.0 CG B:ASP104 3.6 7.8 1.0 HB3 B:ASN21 3.7 9.9 1.0 OXT A:GLY114 3.7 11.1 1.0 HA B:SER22 3.7 10.8 1.0 ND2 B:ASN103 3.7 9.0 1.0 CA B:CA204 3.7 8.2 1.0 C2 B:FUC201 3.8 9.4 1.0 HB2 B:ASN21 3.9 9.9 1.0 HB2 B:SER22 3.9 10.6 1.0 H B:ASN103 4.2 9.6 1.0 CB B:ASN21 4.2 8.2 1.0 CA B:ASP104 4.2 7.8 1.0 N B:ASP104 4.3 7.8 1.0 CA B:SER22 4.3 9.0 1.0 N B:SER22 4.4 8.5 1.0 O B:HOH354 4.4 15.9 1.0 O2 B:FUC201 4.5 9.0 1.0 C B:ASN103 4.5 7.5 1.0 OD2 B:ASP104 4.5 8.7 1.0 CB B:ASP104 4.5 8.4 1.0 CB B:ASP101 4.5 8.9 1.0 CA B:ASN21 4.5 8.3 1.0 OD2 B:ASP99 4.6 10.5 1.0 H B:ASP104 4.6 9.3 1.0 HD22 B:ASN103 4.6 10.8 1.0 CB B:SER22 4.6 8.8 1.0 HB2 B:ASP101 4.7 10.7 1.0 CB B:ASN103 4.7 8.1 1.0 O B:ASN103 4.8 8.0 1.0 CA A:GLY114 4.8 9.4 1.0 C5 B:FUC201 4.8 10.2 1.0 HB3 B:ASP104 4.8 10.1 1.0 N B:ASN103 4.9 8.0 1.0 HB3 B:ASP101 4.9 10.7 1.0 CA B:ASN103 4.9 8.3 1.0

Calcium binding site 4 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:8.2 occ:1.00 OD1 B:ASP99 2.4 10.0 1.0 OD1 B:ASP101 2.4 8.7 1.0 OD2 B:ASP104 2.4 8.7 1.0 OE2 B:GLU95 2.4 8.6 1.0 O3 B:FUC201 2.5 8.5 1.0 OE1 B:GLU95 2.5 8.6 1.0 O2 B:FUC201 2.5 9.0 1.0 OD1 B:ASP104 2.6 8.2 1.0 CD B:GLU95 2.8 8.2 1.0 CG B:ASP104 2.9 7.8 1.0 C2 B:FUC201 3.3 9.4 1.0 C3 B:FUC201 3.3 9.3 1.0 H B:ASP101 3.4 10.3 1.0 CG B:ASP99 3.4 9.6 1.0 CG B:ASP101 3.4 8.8 1.0 OD2 B:ASP99 3.7 10.5 1.0 CA B:CA203 3.7 8.1 1.0 H B:TYR102 3.7 10.0 1.0 H B:ASP96 3.8 10.8 1.0 HA B:GLU95 3.9 9.8 1.0 OD2 B:ASP101 4.0 8.8 1.0 H B:ASN100 4.0 11.0 1.0 H B:GLY97 4.1 11.7 1.0 H B:ASP99 4.1 11.9 1.0 O B:HOH399 4.1 13.3 1.0 N B:ASP101 4.1 8.6 1.0 OD1 B:ASP96 4.2 10.4 1.0 CG B:GLU95 4.3 8.7 1.0 CB B:ASP104 4.4 8.4 1.0 N B:TYR102 4.4 8.3 1.0 H B:ASN103 4.4 9.6 1.0 N B:ASN100 4.5 9.2 1.0 N B:ASP96 4.5 9.0 1.0 CB B:ASP101 4.6 8.9 1.0 HG3 B:GLU95 4.6 10.4 1.0 N B:GLY97 4.6 9.7 1.0 HA3 B:GLY97 4.7 13.0 1.0 C4 B:FUC201 4.7 9.6 1.0 HB2 B:ASP104 4.7 10.1 1.0 CA B:ASP101 4.7 9.0 1.0 CA B:GLU95 4.7 8.2 1.0 H B:ASP104 4.7 9.3 1.0 CB B:ASP99 4.7 10.6 1.0 OD1 B:ASN103 4.7 8.7 1.0 N B:ASP99 4.8 9.9 1.0 C1 B:FUC201 4.8 10.0 1.0 HG2 B:GLU95 4.8 10.4 1.0 HA B:ASN100 4.8 10.7 1.0 O4 B:FUC201 4.8 9.2 1.0 HB3 B:ASP104 4.8 10.1 1.0 HB3 B:ASP101 4.9 10.7 1.0 CB B:GLU95 4.9 8.5 1.0 HB2 B:GLU95 4.9 10.2 1.0 CG B:ASP96 5.0 9.3 1.0 C B:ASP101 5.0 8.6 1.0 C B:ASP99 5.0 9.8 1.0 HA B:TYR102 5.0 9.9 1.0

Calcium binding site 5 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:8.5 occ:1.00 OD1 C:ASN103 2.3 8.5 1.0 O C:ASN21 2.4 8.4 1.0 OD1 C:ASP104 2.4 8.7 1.0 O D:GLY114 2.4 9.2 1.0 OD2 C:ASP101 2.4 10.0 1.0 O4 C:FUC201 2.5 9.2 1.0 O3 C:FUC201 2.5 9.3 1.0 OD1 C:ASP101 3.0 10.7 1.0 CG C:ASP101 3.1 10.1 1.0 C3 C:FUC201 3.4 9.4 1.0 CG C:ASN103 3.4 8.7 1.0 HD21 C:ASN103 3.4 11.1 1.0 C D:GLY114 3.4 9.1 1.0 C4 C:FUC201 3.4 10.0 1.0 HA C:ASP104 3.5 9.6 1.0 C C:ASN21 3.6 8.2 1.0 CG C:ASP104 3.6 8.8 1.0 HB3 C:ASN21 3.6 10.0 1.0 OXT D:GLY114 3.7 10.9 1.0 CA C:CA203 3.8 9.2 1.0 ND2 C:ASN103 3.8 9.2 1.0 HA C:SER22 3.8 10.4 1.0 C2 C:FUC201 3.8 9.3 1.0 HB2 C:ASN21 3.9 10.0 1.0 HB2 C:SER22 4.0 10.5 1.0 H C:ASN103 4.2 10.1 1.0 CB C:ASN21 4.2 8.4 1.0 CA C:ASP104 4.2 8.0 1.0 N C:ASP104 4.3 8.0 1.0 CA C:SER22 4.4 8.7 1.0 N C:SER22 4.4 8.2 1.0 O C:HOH351 4.4 17.4 1.0 C C:ASN103 4.4 8.1 1.0 OD2 C:ASP104 4.5 9.3 1.0 O2 C:FUC201 4.5 10.0 1.0 CB C:ASP104 4.5 8.6 1.0 CA C:ASN21 4.5 7.9 1.0 H C:ASP104 4.5 9.6 1.0 OD2 C:ASP99 4.5 11.5 1.0 CB C:ASP101 4.6 11.0 1.0 HD22 C:ASN103 4.6 11.1 1.0 CB C:SER22 4.6 8.7 1.0 CB C:ASN103 4.7 8.4 1.0 HB2 C:ASP101 4.7 13.2 1.0 C5 C:FUC201 4.8 10.4 1.0 O C:ASN103 4.8 8.1 1.0 CA D:GLY114 4.8 9.8 1.0 HB3 C:ASP104 4.8 10.3 1.0 N C:ASN103 4.8 8.4 1.0 CA C:ASN103 4.9 8.0 1.0 HB3 C:ASP101 4.9 13.2 1.0 OD1 C:ASP99 5.0 11.9 1.0

Calcium binding site 6 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca203 b:9.2 occ:1.00 OD1 C:ASP101 2.4 10.7 1.0 OD1 C:ASP99 2.4 11.9 1.0 OE2 C:GLU95 2.4 9.8 1.0 OD2 C:ASP104 2.4 9.3 1.0 OE1 C:GLU95 2.4 9.6 1.0 O3 C:FUC201 2.5 9.3 1.0 O2 C:FUC201 2.5 10.0 1.0 OD1 C:ASP104 2.6 8.7 1.0 CD C:GLU95 2.8 10.0 1.0 CG C:ASP104 2.9 8.8 1.0 C2 C:FUC201 3.3 9.3 1.0 C3 C:FUC201 3.4 9.4 1.0 H C:ASP101 3.4 13.6 1.0 CG C:ASP99 3.4 11.2 1.0 CG C:ASP101 3.4 10.1 1.0 H C:TYR102 3.7 11.8 1.0 OD2 C:ASP99 3.7 11.5 1.0 CA C:CA202 3.8 8.5 1.0 H C:ASP96 3.8 10.9 1.0 HA C:GLU95 3.9 11.0 1.0 OD2 C:ASP101 4.0 10.0 1.0 H C:ASP99 4.0 15.4 1.0 H C:GLY97 4.1 12.8 1.0 O C:HOH393 4.1 17.0 1.0 N C:ASP101 4.1 11.3 1.0 H C:ASN100 4.2 14.7 1.0 CG C:GLU95 4.2 10.0 1.0 OD1 C:ASP96 4.3 10.5 1.0 CB C:ASP104 4.4 8.6 1.0 N C:TYR102 4.4 9.9 1.0 H C:ASN103 4.4 10.1 1.0 N C:ASP96 4.5 9.1 1.0 CB C:ASP101 4.5 11.0 1.0 N C:ASN100 4.5 12.2 1.0 HG3 C:GLU95 4.6 12.0 1.0 HA3 C:GLY97 4.6 14.4 1.0 N C:GLY97 4.6 10.7 1.0 H C:ASP104 4.7 9.6 1.0 CA C:ASP101 4.7 10.8 1.0 C4 C:FUC201 4.7 10.0 1.0 CA C:GLU95 4.7 9.2 1.0 HB2 C:ASP104 4.7 10.3 1.0 N C:ASP99 4.7 12.8 1.0 CB C:ASP99 4.7 12.4 1.0 HG2 C:GLU95 4.8 12.0 1.0 OD1 C:ASN103 4.8 8.5 1.0 C1 C:FUC201 4.8 10.5 1.0 O4 C:FUC201 4.8 9.2 1.0 HB3 C:ASP101 4.8 13.2 1.0 HB3 C:ASP104 4.9 10.3 1.0 CB C:GLU95 4.9 9.6 1.0 HB2 C:GLU95 4.9 11.5 1.0 HA C:ASN100 4.9 14.8 1.0 CG C:ASP96 4.9 9.5 1.0 C C:ASP101 5.0 10.0 1.0 C C:ASP99 5.0 12.3 1.0

Calcium binding site 7 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca202 b:8.1 occ:1.00 OD1 D:ASP101 2.4 8.8 1.0 OD1 D:ASP99 2.4 10.3 1.0 OD2 D:ASP104 2.4 8.7 1.0 OE2 D:GLU95 2.4 8.7 1.0 O3 D:FUC201 2.5 8.8 1.0 OE1 D:GLU95 2.5 8.8 1.0 O2 D:FUC201 2.5 9.0 1.0 OD1 D:ASP104 2.6 8.6 1.0 CD D:GLU95 2.8 8.1 1.0 CG D:ASP104 2.9 8.3 1.0 C2 D:FUC201 3.3 8.5 1.0 C3 D:FUC201 3.3 8.7 1.0 H D:ASP101 3.3 11.0 1.0 CG D:ASP99 3.4 9.7 1.0 CG D:ASP101 3.4 8.6 1.0 H D:TYR102 3.7 10.0 1.0 CA D:CA203 3.7 7.9 1.0 OD2 D:ASP99 3.7 10.0 1.0 H D:ASP96 3.8 10.3 1.0 HA D:GLU95 3.9 10.4 1.0 OD2 D:ASP101 4.0 8.7 1.0 H D:ASN100 4.0 11.6 1.0 H D:ASP99 4.1 12.2 1.0 H D:GLY97 4.1 11.4 1.0 N D:ASP101 4.1 9.1 1.0 O D:HOH398 4.1 13.2 1.0 CG D:GLU95 4.2 9.2 1.0 OD1 D:ASP96 4.3 10.2 1.0 N D:TYR102 4.4 8.3 1.0 CB D:ASP104 4.4 8.1 1.0 H D:ASN103 4.4 9.3 1.0 N D:ASN100 4.5 9.7 1.0 CB D:ASP101 4.5 9.0 1.0 N D:ASP96 4.5 8.6 1.0 HG3 D:GLU95 4.6 11.1 1.0 HA3 D:GLY97 4.6 12.6 1.0 N D:GLY97 4.6 9.5 1.0 CA D:ASP101 4.7 8.7 1.0 H D:ASP104 4.7 9.5 1.0 C4 D:FUC201 4.7 9.6 1.0 CA D:GLU95 4.7 8.7 1.0 HB2 D:ASP104 4.7 9.8 1.0 CB D:ASP99 4.7 10.3 1.0 N D:ASP99 4.7 10.2 1.0 C1 D:FUC201 4.8 9.9 1.0 OD1 D:ASN103 4.8 8.1 1.0 HG2 D:GLU95 4.8 11.1 1.0 O4 D:FUC201 4.8 8.8 1.0 HB3 D:ASP101 4.8 10.8 1.0 HA D:ASN100 4.8 11.6 1.0 HB3 D:ASP104 4.8 9.8 1.0 CB D:GLU95 4.9 8.6 1.0 C D:ASP101 4.9 8.4 1.0 HB2 D:GLU95 4.9 10.3 1.0 CG D:ASP96 5.0 9.4 1.0 C D:ASP99 5.0 9.9 1.0 HA D:TYR102 5.0 10.3 1.0

Calcium binding site 8 out of 8 in the X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of X-Ray Crystal Structure of Perdeuterated Lecb Lectin in Complex with Perdeuterated Fucose within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca203 b:7.9 occ:1.00 OD1 D:ASN103 2.3 8.1 1.0 O D:ASN21 2.4 8.2 1.0 OD1 D:ASP104 2.4 8.6 1.0 O C:GLY114 2.4 8.9 1.0 OD2 D:ASP101 2.4 8.7 1.0 O3 D:FUC201 2.5 8.8 1.0 O4 D:FUC201 2.5 8.8 1.0 OD1 D:ASP101 3.0 8.8 1.0 CG D:ASP101 3.1 8.6 1.0 HD21 D:ASN103 3.4 10.4 1.0 C3 D:FUC201 3.4 8.7 1.0 C C:GLY114 3.4 9.0 1.0 CG D:ASN103 3.4 7.6 1.0 C4 D:FUC201 3.4 9.6 1.0 HA D:ASP104 3.5 9.3 1.0 C D:ASN21 3.6 8.2 1.0 CG D:ASP104 3.6 8.3 1.0 HB3 D:ASN21 3.6 9.4 1.0 OXT C:GLY114 3.7 10.2 1.0 CA D:CA202 3.7 8.1 1.0 ND2 D:ASN103 3.7 8.6 1.0 HA D:SER22 3.8 10.2 1.0 C2 D:FUC201 3.8 8.5 1.0 HB2 D:ASN21 3.9 9.4 1.0 HB2 D:SER22 3.9 10.9 1.0 CB D:ASN21 4.1 7.8 1.0 H D:ASN103 4.1 9.3 1.0 CA D:ASP104 4.2 7.8 1.0 N D:ASP104 4.3 7.9 1.0 CA D:SER22 4.4 8.5 1.0 N D:SER22 4.4 8.4 1.0 O2 D:FUC201 4.4 9.0 1.0 OD2 D:ASP104 4.4 8.7 1.0 C D:ASN103 4.5 7.7 1.0 CB D:ASP104 4.5 8.1 1.0 OD2 D:ASP99 4.5 10.0 1.0 CA D:ASN21 4.5 7.9 1.0 CB D:ASP101 4.5 9.0 1.0 H D:ASP104 4.6 9.5 1.0 HD22 D:ASN103 4.6 10.4 1.0 CB D:SER22 4.6 9.1 1.0 O D:HOH372 4.7 11.9 1.0 CB D:ASN103 4.7 8.0 1.0 HB2 D:ASP101 4.7 10.8 1.0 CA C:GLY114 4.8 8.9 1.0 C5 D:FUC201 4.8 9.7 1.0 O D:ASN103 4.8 8.0 1.0 HB3 D:ASP104 4.8 9.8 1.0 N D:ASN103 4.8 7.8 1.0 CA D:ASN103 4.9 7.4 1.0 HB3 D:ASP101 4.9 10.8 1.0 OD1 D:ASP99 4.9 10.3 1.0

L.Gajdos, M.P.Blakeley, M.Haertlein, V.T.Forsyth, J.M.Devos, A.Imberty. Neutron Crystallography Reveals Mechanisms Used By Pseudomonas Aeruginosa For Host-Cell Binding. Nat Commun V. 13 194 2022.
ISSN: ESSN 2041-1723
PubMed: 35017516
DOI: 10.1038/S41467-021-27871-8