Calcium in PDB 8sjb: Crystal Structure of ZN2+ Bound Calprotectin Variant H87C

The structure of Crystal Structure of ZN2+ Bound Calprotectin Variant H87C, PDB code: 8sjb was solved by Y.R.Perera, A.M.Rodriguez, V.Garcia, R.M.Guillen, W.J.Chazin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.42 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.436, 76.935, 106.793, 90, 90, 90
R / Rfree (%)	18.4 / 19.7

The structure of Crystal Structure of ZN2+ Bound Calprotectin Variant H87C also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C (pdb code 8sjb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C, PDB code: 8sjb:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


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 ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:29.7 occ:1.00 OD1 A:ASN61 2.2 30.7 1.0 OD1 A:ASP59 2.3 32.2 1.0 O A:HOH205 2.4 33.0 1.0 O A:ALA65 2.4 31.4 1.0 OD1 A:ASP63 2.4 30.3 1.0 OE1 A:GLU70 2.5 31.9 1.0 OE2 A:GLU70 2.5 29.7 1.0 CD A:GLU70 2.9 27.9 1.0 HA A:ASP59 3.2 31.8 1.0 CG A:ASP63 3.2 33.3 1.0 CG A:ASN61 3.4 27.6 1.0 CG A:ASP59 3.4 31.8 1.0 H A:ASP63 3.5 34.6 1.0 C A:ALA65 3.6 32.2 1.0 OD2 A:ASP63 3.6 36.1 1.0 H A:ALA65 3.6 33.0 1.0 H A:ASN61 3.6 34.5 1.0 HD21 A:ASN61 3.7 30.1 1.0 HA A:VAL66 3.8 29.8 1.0 H A:ASN67 3.9 29.1 1.0 ND2 A:ASN61 4.0 29.2 1.0 CA A:ASP59 4.0 31.2 1.0 H A:ILE60 4.2 28.5 1.0 CB A:ASP59 4.2 32.5 1.0 N A:ALA65 4.3 32.6 1.0 OD2 A:ASP59 4.3 32.9 1.0 C A:ASP59 4.3 30.5 1.0 HB2 A:ASP59 4.3 33.3 1.0 N A:ASP63 4.4 33.7 1.0 CG A:GLU70 4.4 31.0 1.0 N A:ASN61 4.4 32.9 1.0 N A:ILE60 4.4 28.2 1.0 N A:VAL66 4.4 31.4 1.0 CB A:ASP63 4.5 31.0 1.0 H A:THR62 4.5 34.0 1.0 CA A:ALA65 4.5 31.0 1.0 HB3 A:ALA65 4.5 39.1 1.0 CA A:VAL66 4.5 29.8 1.0 N A:ASN67 4.6 28.7 1.0 HB3 A:ASP63 4.7 31.3 1.0 CB A:ASN61 4.7 31.6 1.0 H A:GLY64 4.7 34.0 1.0 N A:THR62 4.7 31.9 1.0 HG21 D:THR65 4.7 54.3 1.0 HG3 A:GLU70 4.8 32.0 1.0 HG2 A:GLU70 4.8 32.0 1.0 HB3 A:ASN67 4.8 33.5 1.0 HD22 A:ASN61 4.8 30.1 1.0 CA A:ASP63 4.9 32.5 1.0 CA A:ASN61 4.9 33.8 1.0 HG12 A:ILE60 4.9 35.2 1.0 HB2 A:GLU70 4.9 33.0 1.0 C A:ASN61 5.0 34.6 1.0 HB3 A:ASN61 5.0 33.0 1.0 N A:GLY64 5.0 34.2 1.0

Calcium binding site 2 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


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 ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:30.6 occ:0.52 O A:ALA28 2.2 33.0 1.0 O A:SER20 2.3 37.1 1.0 O A:LYS23 2.3 36.2 1.0 O A:ASN25 2.3 33.6 1.0 O A:HOH208 2.5 33.3 1.0 HE2 A:TYR30 3.0 40.4 1.0 HA A:SER20 3.1 31.0 1.0 C A:SER20 3.3 32.1 1.0 H A:LYS23 3.3 39.8 1.0 C A:ALA28 3.4 34.3 1.0 C A:ASN25 3.4 32.8 1.0 H A:ALA28 3.5 32.3 1.0 HB3 A:ALA28 3.5 32.6 1.0 C A:LYS23 3.5 42.4 1.0 HA A:PHE26 3.6 34.9 1.0 CE2 A:TYR30 3.6 39.1 1.0 CA A:SER20 3.7 31.0 1.0 HB2 A:SER20 3.8 30.2 1.0 HD1 A:PHE26 3.9 35.1 1.0 N A:ASN25 4.0 33.5 1.0 N A:LYS23 4.1 37.1 1.0 HD2 A:TYR30 4.1 39.9 1.0 C A:GLY24 4.1 33.4 1.0 HA A:VAL29 4.1 30.3 1.0 CA A:ALA28 4.1 33.9 1.0 N A:ALA28 4.1 31.1 1.0 H A:ASN25 4.1 35.2 1.0 CD2 A:TYR30 4.2 38.7 1.0 HG3 A:LYS23 4.2 47.8 1.0 CB A:ALA28 4.2 31.3 1.0 N A:PHE26 4.3 33.2 1.0 CA A:PHE26 4.3 33.2 1.0 HA3 A:GLY24 4.3 41.7 1.0 CB A:SER20 4.3 30.4 1.0 CA A:ASN25 4.3 34.6 1.0 CZ A:TYR30 4.4 41.2 1.0 O A:GLY24 4.4 37.1 1.0 N A:LEU21 4.4 30.9 1.0 CA A:LYS23 4.4 43.3 1.0 N A:VAL29 4.5 30.4 1.0 H A:ILE22 4.5 36.8 1.0 N A:GLY24 4.5 40.2 1.0 O A:TYR19 4.5 36.6 1.0 HB1 A:ALA28 4.5 32.6 1.0 CA A:GLY24 4.5 39.4 1.0 HA A:LEU21 4.5 34.2 1.0 OH A:TYR30 4.6 38.0 1.0 OD2 A:ASP33 4.6 43.1 1.0 HB3 A:ASN25 4.6 39.9 1.0 N A:ILE22 4.7 34.6 1.0 CA A:VAL29 4.8 30.0 1.0 C A:PHE26 4.8 33.0 1.0 H A:TYR30 4.8 35.2 1.0 HG2 A:LYS23 4.8 47.8 1.0 CD1 A:PHE26 4.9 33.4 1.0 CA A:LEU21 4.9 33.0 1.0 CG A:LYS23 4.9 43.7 1.0 N A:SER20 4.9 30.9 1.0 HB3 A:SER20 4.9 30.2 1.0 HB A:ILE22 5.0 38.4 1.0 C A:LEU21 5.0 37.1 1.0 HB2 A:ALA28 5.0 32.6 1.0

Calcium binding site 3 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


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 ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:25.7 occ:1.00 O B:ALA65 2.3 27.1 1.0 O B:HOH204 2.3 30.5 1.0 OD1 B:ASP59 2.4 26.4 1.0 OD1 B:ASN61 2.4 27.4 1.0 OD1 B:ASP63 2.4 27.7 1.0 OE1 B:GLU70 2.4 31.4 1.0 OE2 B:GLU70 2.5 28.4 1.0 CD B:GLU70 2.8 30.0 1.0 HA B:ASP59 3.2 28.4 1.0 CG B:ASP63 3.3 30.7 1.0 C B:ALA65 3.4 27.5 1.0 CG B:ASP59 3.5 27.1 1.0 CG B:ASN61 3.5 29.2 1.0 H B:ALA65 3.6 29.6 1.0 H B:ASP63 3.6 28.1 1.0 H B:ASN61 3.7 28.3 1.0 OD2 B:ASP63 3.7 32.2 1.0 HA B:VAL66 3.7 26.4 1.0 HD21 B:ASN61 3.8 30.0 1.0 H B:ASN67 3.8 25.3 1.0 CA B:ASP59 4.0 28.5 1.0 ND2 B:ASN61 4.1 29.4 1.0 HB3 B:ALA65 4.1 35.1 1.0 CB B:ASP59 4.2 28.6 1.0 H B:ILE60 4.2 28.3 1.0 N B:ALA65 4.3 29.8 1.0 HB2 B:ASP59 4.3 28.6 1.0 CG B:GLU70 4.3 27.4 1.0 N B:VAL66 4.3 27.9 1.0 CA B:ALA65 4.3 31.8 1.0 OD2 B:ASP59 4.4 28.9 1.0 C B:ASP59 4.4 29.4 1.0 CA B:VAL66 4.4 26.8 1.0 N B:ASP63 4.4 27.9 1.0 N B:ILE60 4.5 28.5 1.0 N B:ASN61 4.5 28.0 1.0 N B:ASN67 4.5 25.7 1.0 CB B:ASP63 4.6 28.5 1.0 H B:THR62 4.6 27.3 1.0 HG3 B:GLU70 4.7 27.8 1.0 CB B:ALA65 4.7 34.3 1.0 HG2 B:GLU70 4.7 27.8 1.0 H B:GLY64 4.7 30.0 1.0 HB3 B:ASP63 4.7 28.9 1.0 CB B:ASN61 4.8 26.9 1.0 HG21 C:THR65 4.8 39.2 1.0 HE3 C:MET78 4.8 37.0 1.0 N B:THR62 4.8 26.4 1.0 HG12 B:ILE60 4.9 31.4 1.0 HD22 B:ASN61 4.9 30.0 1.0 HB2 B:GLU70 4.9 23.1 1.0 HB3 B:ASN67 4.9 29.6 1.0 CA B:ASP63 4.9 27.8 1.0 CA B:ASN61 5.0 29.6 1.0 C B:VAL66 5.0 27.0 1.0

Calcium binding site 4 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


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 ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:29.2 occ:0.55 O B:ALA28 2.3 29.4 1.0 O B:ASN25 2.3 29.7 1.0 O B:LYS23 2.4 30.2 1.0 O B:SER20 2.4 30.4 1.0 O B:HOH229 2.4 30.1 1.0 HE2 B:TYR30 3.1 35.2 1.0 HA B:PHE26 3.1 37.4 1.0 HA B:SER20 3.2 27.6 1.0 H B:LYS23 3.2 37.5 1.0 H B:ALA28 3.3 31.9 1.0 C B:SER20 3.3 31.6 1.0 C B:ASN25 3.4 30.0 1.0 C B:ALA28 3.4 31.6 1.0 C B:LYS23 3.6 34.6 1.0 HB3 B:ALA28 3.7 33.3 1.0 CE2 B:TYR30 3.7 34.6 1.0 CA B:SER20 3.7 28.3 1.0 HD1 B:PHE26 3.8 43.7 1.0 CA B:PHE26 3.9 35.2 1.0 HB2 B:SER20 3.9 27.1 1.0 N B:LYS23 4.0 34.7 1.0 N B:ALA28 4.0 31.2 1.0 HD2 B:TYR30 4.1 33.2 1.0 HA B:VAL29 4.1 27.5 1.0 N B:PHE26 4.1 36.5 1.0 HH B:TYR30 4.1 33.6 1.0 CA B:ALA28 4.2 32.1 1.0 N B:ASN25 4.2 33.6 1.0 CD2 B:TYR30 4.2 32.9 1.0 C B:GLY24 4.3 34.1 1.0 H B:ILE22 4.3 35.7 1.0 CB B:ALA28 4.4 32.3 1.0 HA3 B:GLY24 4.4 37.5 1.0 HG3 B:LYS23 4.4 41.6 1.0 H B:ASN25 4.4 34.8 1.0 C B:PHE26 4.4 36.8 1.0 CA B:LYS23 4.4 34.0 1.0 CB B:SER20 4.4 27.9 1.0 CA B:ASN25 4.4 31.2 1.0 O B:TYR19 4.4 32.0 1.0 N B:VAL29 4.5 29.8 1.0 CZ B:TYR30 4.5 33.5 1.0 N B:LEU21 4.5 29.6 1.0 N B:GLY24 4.5 35.1 1.0 CD1 B:PHE26 4.5 40.5 1.0 OH B:TYR30 4.6 33.2 1.0 N B:ILE22 4.6 33.8 1.0 CA B:GLY24 4.6 35.1 1.0 HA B:LEU21 4.7 30.9 1.0 OD2 B:ASP33 4.7 33.7 1.0 O B:GLY24 4.7 37.9 1.0 HB3 B:ASN25 4.7 32.5 1.0 HG2 B:LYS23 4.7 41.6 1.0 CA B:VAL29 4.8 27.5 1.0 HB1 B:ALA28 4.8 33.3 1.0 O B:PHE26 4.8 37.7 1.0 N B:ASN27 4.9 33.6 1.0 C B:LEU21 4.9 34.4 1.0 H B:PHE26 4.9 39.0 1.0 HB B:ILE22 4.9 38.9 1.0 CA B:LEU21 4.9 30.6 1.0 CG B:LYS23 5.0 38.1 1.0 HG B:SER20 5.0 30.0 1.0 H B:TYR30 5.0 28.7 1.0 N B:SER20 5.0 29.1 1.0

Calcium binding site 5 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca202 b:29.1 occ:1.00 OD1 C:ASN66 2.3 33.3 1.0 O C:GLN70 2.3 30.0 1.0 O C:HOH333 2.3 34.4 1.0 OD1 C:ASP64 2.3 34.2 1.0 OD1 C:ASP68 2.4 33.6 1.0 OE1 C:GLU75 2.5 30.9 1.0 OE2 C:GLU75 2.6 29.9 1.0 CD C:GLU75 2.9 27.8 1.0 CG C:ASP68 3.3 37.4 1.0 CG C:ASN66 3.3 35.1 1.0 H C:ASP68 3.4 38.0 1.0 CG C:ASP64 3.5 34.5 1.0 HA C:ASP64 3.5 32.9 1.0 C C:GLN70 3.5 30.6 1.0 H C:GLN70 3.6 32.1 1.0 HD22 C:ASN66 3.6 45.7 1.0 HA C:LEU71 3.6 25.6 1.0 H C:ASN66 3.6 34.0 1.0 OD2 C:ASP68 3.7 39.2 1.0 H C:SER72 3.8 27.2 1.0 ND2 C:ASN66 3.8 42.1 1.0 CA C:ASP64 4.2 32.5 1.0 HD23 C:LEU71 4.2 34.0 1.0 HG2 C:GLN70 4.2 40.8 1.0 N C:ASP68 4.3 35.4 1.0 H C:ALA67 4.3 37.1 1.0 CB C:ASP64 4.3 29.3 1.0 N C:GLN70 4.3 31.7 1.0 HG3 C:GLN70 4.3 40.8 1.0 OD2 C:ASP64 4.4 34.9 1.0 CA C:LEU71 4.4 26.6 1.0 CG C:GLU75 4.4 29.3 1.0 N C:ASN66 4.4 32.4 1.0 N C:LEU71 4.4 29.6 1.0 N C:SER72 4.5 27.1 1.0 C C:ASP64 4.5 35.3 1.0 HB2 C:ASP64 4.5 29.1 1.0 CB C:ASP68 4.5 36.6 1.0 H C:THR65 4.5 31.4 1.0 CA C:GLN70 4.5 32.2 1.0 CB C:ASN66 4.5 35.4 1.0 O C:HOH329 4.6 35.6 1.0 N C:ALA67 4.6 34.3 1.0 H C:LYS69 4.6 34.8 1.0 N C:THR65 4.7 30.3 1.0 HD21 C:ASN66 4.7 45.7 1.0 CG C:GLN70 4.7 38.9 1.0 HG3 C:GLU75 4.7 30.2 1.0 CA C:ASP68 4.8 35.3 1.0 HB3 C:ASN66 4.8 37.5 1.0 HB3 C:ASP68 4.8 39.4 1.0 CA C:ASN66 4.8 34.9 1.0 HG2 C:GLU75 4.8 30.2 1.0 C C:ASN66 4.8 38.4 1.0 HB3 C:SER72 4.9 36.3 1.0 C C:LEU71 4.9 29.2 1.0 N C:LYS69 4.9 32.4 1.0 HB2 C:GLU75 4.9 27.9 1.0 C C:ASP68 5.0 33.9 1.0 HD22 C:LEU71 5.0 34.0 1.0

Calcium binding site 6 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca203 b:29.9 occ:1.00 O C:LEU23 2.3 31.8 1.0 O C:SER20 2.4 31.0 1.0 O C:THR28 2.4 28.7 1.0 O C:HIS25 2.4 30.3 1.0 O C:HOH356 2.4 30.7 1.0 OE1 C:GLU33 2.4 31.4 1.0 OE2 C:GLU33 2.6 33.9 1.0 CD C:GLU33 2.9 34.5 1.0 HA C:SER20 3.4 30.7 1.0 H C:LEU23 3.4 34.6 1.0 C C:SER20 3.4 28.8 1.0 C C:LEU23 3.5 34.2 1.0 C C:HIS25 3.5 34.3 1.0 C C:THR28 3.6 29.5 1.0 H C:THR28 3.7 33.6 1.0 H C:ASN30 3.7 28.1 1.0 HA C:LEU29 3.8 27.9 1.0 HA C:PRO26 3.8 34.9 1.0 CA C:SER20 3.9 30.4 1.0 HB2 C:SER20 4.0 30.7 1.0 N C:HIS25 4.1 32.7 1.0 N C:LEU23 4.1 33.2 1.0 C C:GLY24 4.2 37.1 1.0 H C:HIS25 4.2 33.4 1.0 HB2 C:LEU23 4.2 35.7 1.0 OG1 C:THR28 4.3 32.0 1.0 HB3 C:HIS25 4.3 39.1 1.0 HA3 C:GLY24 4.3 44.5 1.0 CA C:LEU23 4.4 34.5 1.0 N C:THR28 4.4 32.2 1.0 CA C:HIS25 4.4 32.2 1.0 CG C:GLU33 4.4 32.2 1.0 N C:ASN30 4.4 28.3 1.0 H C:LYS22 4.4 31.6 1.0 CA C:PRO26 4.4 32.9 1.0 N C:LEU29 4.4 28.0 1.0 N C:PRO26 4.4 33.9 1.0 O C:GLY24 4.5 36.5 1.0 CA C:LEU29 4.5 28.4 1.0 CA C:THR28 4.5 30.2 1.0 N C:GLY24 4.5 35.5 1.0 N C:VAL21 4.5 29.3 1.0 CB C:SER20 4.6 30.4 1.0 CA C:GLY24 4.6 41.0 1.0 HA C:VAL21 4.6 32.4 1.0 HB3 C:ASN30 4.6 33.1 1.0 O C:TYR19 4.7 31.6 1.0 N C:LYS22 4.7 31.1 1.0 C C:PRO26 4.7 37.3 1.0 HG3 C:GLU33 4.7 33.3 1.0 CB C:LEU23 4.8 34.0 1.0 HG2 C:GLU33 4.8 33.3 1.0 C C:VAL21 4.9 32.5 1.0 C C:LEU29 4.9 28.6 1.0 HG1 C:THR28 4.9 33.5 1.0 HB2 C:GLU33 4.9 30.3 1.0 CB C:HIS25 4.9 37.4 1.0 CA C:VAL21 4.9 32.0 1.0

Calcium binding site 7 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:38.7 occ:1.00 O D:GLN70 2.2 47.9 1.0 O D:HOH331 2.3 44.2 1.0 OD1 D:ASN66 2.3 42.4 1.0 OD1 D:ASP64 2.3 40.4 1.0 OD1 D:ASP68 2.4 46.0 1.0 OE1 D:GLU75 2.4 44.2 1.0 OE2 D:GLU75 2.5 42.1 1.0 CD D:GLU75 2.8 38.0 1.0 CG D:ASP68 3.3 54.2 1.0 C D:GLN70 3.4 42.0 1.0 CG D:ASN66 3.4 46.1 1.0 H D:ASP68 3.5 48.6 1.0 H D:GLN70 3.5 53.4 1.0 CG D:ASP64 3.5 38.5 1.0 HA D:ASP64 3.5 37.9 1.0 HA D:LEU71 3.6 41.2 1.0 OD2 D:ASP68 3.7 54.2 1.0 H D:ASN66 3.7 39.6 1.0 H D:SER72 3.8 42.4 1.0 HD21 D:ASN66 3.8 54.1 1.0 ND2 D:ASN66 4.0 50.0 1.0 HB2 D:GLN70 4.0 66.1 1.0 HD23 D:LEU71 4.2 46.7 1.0 N D:GLN70 4.2 48.0 1.0 CA D:ASP64 4.2 37.3 1.0 N D:LEU71 4.3 42.3 1.0 CA D:GLN70 4.3 46.5 1.0 H D:ALA67 4.3 44.2 1.0 N D:ASP68 4.3 43.6 1.0 CG D:GLU75 4.3 37.8 1.0 CA D:LEU71 4.3 39.5 1.0 CB D:ASP64 4.3 40.6 1.0 OD2 D:ASP64 4.4 43.1 1.0 N D:SER72 4.5 40.0 1.0 N D:ASN66 4.5 38.0 1.0 C D:ASP64 4.5 38.9 1.0 CB D:ASP68 4.5 51.7 1.0 HB2 D:ASP64 4.5 41.9 1.0 H D:THR65 4.6 38.4 1.0 CB D:ASN66 4.6 44.5 1.0 N D:ALA67 4.6 41.7 1.0 CB D:GLN70 4.6 58.5 1.0 HG3 D:GLU75 4.7 40.5 1.0 O D:HOH325 4.7 42.2 1.0 HG2 D:GLU75 4.7 40.5 1.0 N D:THR65 4.7 36.7 1.0 HB3 D:ASN66 4.7 47.4 1.0 H D:LYS69 4.7 57.8 1.0 HB3 D:ASP68 4.8 58.3 1.0 CA D:ASP68 4.8 50.8 1.0 HB3 D:SER72 4.8 42.2 1.0 HD22 D:ASN66 4.8 54.1 1.0 C D:LEU71 4.9 40.9 1.0 C D:ASN66 4.9 44.5 1.0 CA D:ASN66 4.9 41.5 1.0 N D:LYS69 4.9 49.9 1.0 HB2 D:GLU75 4.9 36.8 1.0 C D:ASP68 5.0 55.0 1.0 O D:ASP64 5.0 38.1 1.0

Calcium binding site 8 out of 8 in the Crystal Structure of ZN2+ Bound Calprotectin Variant H87C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of ZN2+ Bound Calprotectin Variant H87C within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca202 b:54.3 occ:0.78 O D:HOH326 2.3 61.0 1.0 O D:LEU23 2.3 62.0 1.0 O D:SER20 2.3 56.5 1.0 O D:THR28 2.4 51.3 1.0 O D:HIS25 2.4 55.7 1.0 OE1 D:GLU33 3.2 63.5 1.0 HA D:SER20 3.2 54.9 1.0 C D:SER20 3.4 57.7 1.0 OE2 D:GLU33 3.4 72.2 1.0 C D:HIS25 3.5 65.0 1.0 H D:LEU23 3.5 95.1 1.0 C D:LEU23 3.5 73.9 1.0 C D:THR28 3.6 49.0 1.0 H D:THR28 3.6 57.7 1.0 CD D:GLU33 3.7 72.0 1.0 CA D:SER20 3.8 50.4 1.0 HA D:PRO26 3.8 77.2 1.0 HA D:LEU29 3.8 50.4 1.0 HB2 D:SER20 3.9 54.5 1.0 N D:HIS25 4.0 68.1 1.0 H D:HIS25 4.1 79.0 1.0 C D:GLY24 4.1 74.3 1.0 H D:ASN30 4.1 58.2 1.0 HA3 D:GLY24 4.2 86.5 1.0 N D:LEU23 4.2 77.5 1.0 N D:THR28 4.3 55.0 1.0 CA D:HIS25 4.3 70.5 1.0 HB3 D:LEU23 4.3 87.7 1.0 HB3 D:HIS25 4.4 86.1 1.0 OG1 D:THR28 4.4 55.9 1.0 CB D:SER20 4.4 50.1 1.0 CA D:LEU23 4.4 77.2 1.0 N D:PRO26 4.4 69.1 1.0 CA D:PRO26 4.4 66.9 1.0 N D:GLY24 4.5 70.1 1.0 CA D:GLY24 4.5 74.3 1.0 N D:LEU29 4.5 46.1 1.0 CA D:THR28 4.5 52.1 1.0 N D:VAL21 4.5 58.1 1.0 O D:GLY24 4.5 73.9 1.0 CA D:LEU29 4.6 48.1 1.0 C D:PRO26 4.6 63.1 1.0 HA D:VAL21 4.6 76.7 1.0 OE1 D:GLN70 4.7 61.0 1.0 O D:TYR19 4.7 50.0 1.0 N D:ASN30 4.7 53.8 1.0 CB D:LEU23 4.9 71.3 1.0 CB D:HIS25 4.9 74.0 1.0 HB3 D:ASN30 4.9 68.8 1.0 H D:LYS22 5.0 71.1 1.0 N D:ASP27 5.0 55.3 1.0 CA D:VAL21 5.0 64.7 1.0 HB3 D:SER20 5.0 54.5 1.0 C D:LEU29 5.0 52.8 1.0

Y.R.Perera, A.R.Nassif, V.Garcia, R.M.Guillen, W.J.Chazin. Crystal Structure of ZN2+ Bound Calprotectin To Be Published.