Calcium in PDB 1i22: Mutant Human Lysozyme (A83K/Q86D/A92D)

All present enzymatic activity of Mutant Human Lysozyme (A83K/Q86D/A92D):
3.2.1.17;

The structure of Mutant Human Lysozyme (A83K/Q86D/A92D), PDB code: 1i22 was solved by R.Kuroki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.000, 113.000, 41.200, 90.00, 74.60, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Mutant Human Lysozyme (A83K/Q86D/A92D) (pdb code 1i22). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Mutant Human Lysozyme (A83K/Q86D/A92D), PDB code: 1i22:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Mutant Human Lysozyme (A83K/Q86D/A92D)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mutant Human Lysozyme (A83K/Q86D/A92D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca198 b:38.8 occ:1.00 O A:HOH420 2.2 21.2 1.0 OD2 A:ASP86 2.3 47.2 1.0 O A:LYS83 2.4 15.1 1.0 O A:ASN88 2.4 16.4 1.0 OD2 A:ASP91 2.6 34.0 1.0 OD1 A:ASP92 2.8 20.9 1.0 CG A:ASP86 3.4 42.9 1.0 C A:LYS83 3.5 13.1 1.0 C A:ASN88 3.6 20.6 1.0 OD1 A:ASP86 3.7 47.8 1.0 CG A:ASP91 3.8 30.5 1.0 CG A:ASP92 4.0 15.4 1.0 CA A:LEU84 4.0 14.4 1.0 O A:ASP86 4.2 25.4 1.0 N A:LEU84 4.2 10.4 1.0 OD1 A:ASN88 4.3 48.8 1.0 CA A:ILE89 4.3 18.9 1.0 N A:ASP86 4.4 21.6 1.0 N A:ASN88 4.4 22.9 1.0 C A:LEU84 4.4 19.3 1.0 N A:ILE89 4.5 20.2 1.0 OD1 A:ASP91 4.5 34.6 1.0 N A:ASP91 4.5 17.9 1.0 CA A:ASN88 4.5 21.1 1.0 N A:ASP92 4.6 14.6 1.0 C A:ASP86 4.6 25.2 1.0 CB A:ASP86 4.6 33.4 1.0 OD2 A:ASP92 4.6 15.8 1.0 CA A:LYS83 4.6 20.1 1.0 CA A:ASP86 4.7 25.1 1.0 CB A:ASN88 4.7 24.9 1.0 CB A:ASP91 4.8 20.9 1.0 N A:LEU85 4.8 18.6 1.0 C A:ILE89 4.8 19.2 1.0 CB A:LYS83 4.8 28.4 1.0 CG A:ASN88 4.8 35.8 1.0 CD2 A:LEU84 4.8 13.5 1.0 CA A:ASP91 4.9 15.6 1.0

Calcium binding site 2 out of 4 in the Mutant Human Lysozyme (A83K/Q86D/A92D)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mutant Human Lysozyme (A83K/Q86D/A92D) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca197 b:28.0 occ:1.00 O B:ASN88 2.2 18.5 1.0 O B:HOH257 2.3 24.1 1.0 O B:LYS83 2.3 15.9 1.0 O B:HOH518 2.3 36.4 1.0 OD2 B:ASP86 2.4 32.4 1.0 OD1 B:ASP92 2.6 22.7 1.0 OD2 B:ASP91 2.8 36.9 1.0 CG B:ASP86 3.4 36.9 1.0 C B:ASN88 3.4 19.4 1.0 C B:LYS83 3.5 14.1 1.0 OD1 B:ASP86 3.7 37.8 1.0 CG B:ASP92 3.7 23.9 1.0 CG B:ASP91 3.7 31.4 1.0 OD1 B:ASP91 4.0 28.3 1.0 CA B:LEU84 4.0 16.6 1.0 O B:ASP86 4.2 23.2 1.0 OD2 B:ASP92 4.2 21.8 1.0 N B:ASN88 4.2 25.6 1.0 N B:LEU84 4.3 16.3 1.0 CA B:ILE89 4.3 14.9 1.0 CA B:ASN88 4.3 25.8 1.0 N B:ILE89 4.3 16.4 1.0 N B:ASP86 4.4 27.8 1.0 C B:LEU84 4.4 23.7 1.0 C B:ASP86 4.5 21.7 1.0 CB B:ASP86 4.6 34.0 1.0 CA B:LYS83 4.7 16.4 1.0 OD1 B:ASN88 4.7 48.3 1.0 CA B:ASP86 4.7 25.0 1.0 N B:LEU85 4.7 19.5 1.0 N B:ASP92 4.8 13.9 1.0 N B:ASP91 4.9 15.1 1.0 CB B:ASN88 4.9 34.9 1.0 C B:ILE89 4.9 16.2 1.0 O B:LEU84 5.0 25.5 1.0 CB B:LYS83 5.0 23.7 1.0

Calcium binding site 3 out of 4 in the Mutant Human Lysozyme (A83K/Q86D/A92D)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mutant Human Lysozyme (A83K/Q86D/A92D) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca199 b:46.0 occ:1.00 O C:HOH309 2.3 23.2 1.0 O C:ASN88 2.4 20.9 1.0 O C:LYS83 2.4 20.7 1.0 OD1 C:ASP92 2.5 14.5 1.0 OD2 C:ASP91 2.6 43.1 1.0 OD2 C:ASP86 2.8 48.1 1.0 CG C:ASP86 3.5 41.3 1.0 C C:ASN88 3.6 20.5 1.0 C C:LYS83 3.6 21.1 1.0 CG C:ASP92 3.6 17.1 1.0 CG C:ASP91 3.7 40.1 1.0 OD1 C:ASP86 3.8 42.0 1.0 CA C:LEU84 3.9 15.4 1.0 OD1 C:ASP91 4.1 36.5 1.0 CA C:ILE89 4.2 11.4 1.0 OD2 C:ASP92 4.2 18.8 1.0 N C:LEU84 4.3 11.2 1.0 C C:LEU84 4.3 23.7 1.0 O C:ASP86 4.3 19.1 1.0 N C:ASP86 4.4 26.8 1.0 N C:ILE89 4.4 16.8 1.0 N C:ASN88 4.5 23.2 1.0 N C:ASP92 4.5 19.0 1.0 CB C:ASP86 4.5 32.4 1.0 CA C:ASN88 4.5 23.5 1.0 C C:ASP86 4.6 24.0 1.0 O C:LEU84 4.7 26.0 1.0 CA C:LYS83 4.7 21.7 1.0 CD2 C:LEU84 4.7 23.0 1.0 N C:ASP91 4.7 19.0 1.0 CA C:ASP86 4.7 26.1 1.0 N C:LEU85 4.7 23.3 1.0 C C:ILE89 4.8 14.2 1.0 CB C:ASP92 4.8 15.6 1.0 CB C:LYS83 4.9 31.2 1.0 CB C:ASN88 4.9 37.3 1.0 CB C:ASP91 4.9 34.5 1.0

Calcium binding site 4 out of 4 in the Mutant Human Lysozyme (A83K/Q86D/A92D)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Mutant Human Lysozyme (A83K/Q86D/A92D) within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca200 b:39.0 occ:1.00 OD2 D:ASP91 2.2 41.3 1.0 O D:HOH201 2.3 21.4 1.0 O D:LYS83 2.5 21.2 1.0 O D:ASN88 2.5 14.1 1.0 OD2 D:ASP86 2.6 48.8 1.0 OD1 D:ASP92 2.8 10.4 1.0 CG D:ASP91 3.3 33.0 1.0 C D:LYS83 3.6 17.6 1.0 CG D:ASP86 3.6 45.6 1.0 C D:ASN88 3.7 19.8 1.0 OD1 D:ASP91 3.7 37.8 1.0 CA D:LEU84 3.9 10.0 1.0 CG D:ASP92 3.9 13.0 1.0 OD1 D:ASP86 4.1 53.4 1.0 O D:ASP86 4.2 21.1 1.0 N D:ASP86 4.2 17.2 1.0 C D:LEU84 4.3 21.6 1.0 N D:LEU84 4.3 15.8 1.0 CA D:ILE89 4.3 9.0 1.0 N D:ASN88 4.4 25.9 1.0 CB D:ASP91 4.5 27.9 1.0 N D:ILE89 4.5 16.1 1.0 C D:ASP86 4.5 21.4 1.0 CA D:ASN88 4.5 21.5 1.0 N D:ASP92 4.6 10.8 1.0 CB D:ASN88 4.6 28.9 1.0 N D:ASP91 4.6 15.5 1.0 OD2 D:ASP92 4.6 13.3 1.0 CA D:ASP86 4.6 20.2 1.0 N D:LEU85 4.7 14.1 1.0 CD2 D:LEU84 4.7 16.8 1.0 CB D:ASP86 4.7 31.2 1.0 CA D:LYS83 4.8 18.9 1.0 O D:LEU84 4.8 27.0 1.0 C D:ILE89 4.8 9.1 1.0 CA D:ASP91 4.9 14.4 1.0

R.Kuroki, K.Yutani. Structural and Thermodynamic Responses of Mutations at A CA2+ Binding Site Engineered Into Human Lysozyme. J.Biol.Chem. V. 273 34310 1998.
ISSN: ISSN 0021-9258
PubMed: 9852096
DOI: 10.1074/JBC.273.51.34310