Calcium in PDB 3lun: Structure of Ulilysin Mutant M290C

The structure of Structure of Ulilysin Mutant M290C, PDB code: 3lun was solved by C.Tallant, R.Garcia-Castellanos, U.Baumann, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.93 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	58.510, 116.290, 164.760, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.8

The structure of Structure of Ulilysin Mutant M290C also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Calcium atom in the Structure of Ulilysin Mutant M290C (pdb code 3lun). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Structure of Ulilysin Mutant M290C, PDB code: 3lun:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Structure of Ulilysin Mutant M290C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Ulilysin Mutant M290C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1400 b:15.9 occ:1.00 OD2 B:ASP152 2.2 13.7 1.0 O A:HOH561 2.3 26.4 1.0 O A:HOH484 2.3 22.3 1.0 OD2 A:ASP152 2.3 14.2 1.0 O A:HOH8 2.4 17.1 1.0 O B:HOH447 2.4 23.4 1.0 CG B:ASP152 3.4 15.3 1.0 CG A:ASP152 3.4 15.2 1.0 CB B:ASP152 4.0 14.2 1.0 O B:HOH385 4.1 17.1 1.0 CB A:ASP152 4.1 12.6 1.0 O A:HOH343 4.1 17.4 1.0 O B:SER151 4.1 14.5 1.0 O A:SER151 4.1 14.9 1.0 OD1 B:ASP152 4.3 14.6 1.0 OD1 A:ASP152 4.4 15.4 1.0 O A:HOH452 4.4 32.9 1.0 C B:SER151 4.5 14.5 1.0 CG2 B:THR200 4.6 14.5 1.0 C A:SER151 4.6 14.5 1.0 OG1 A:THR200 4.6 14.8 1.0 O A:THR150 4.6 15.9 1.0 OG1 B:THR200 4.6 13.9 1.0 O B:THR150 4.7 15.6 1.0 CG2 A:THR200 4.7 14.4 1.0 CB B:THR200 4.8 13.5 1.0 O A:HOH392 4.8 31.0 1.0 CB A:THR200 4.9 15.2 1.0 CA B:SER151 5.0 15.5 1.0

Calcium binding site 2 out of 6 in the Structure of Ulilysin Mutant M290C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Ulilysin Mutant M290C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca998 b:15.9 occ:1.00 OD1 A:ASP254 2.3 16.0 1.0 O A:VAL256 2.3 16.6 1.0 O A:HOH354 2.3 15.0 1.0 O A:HOH12 2.4 15.5 1.0 O A:THR259 2.4 15.4 1.0 O A:HOH13 2.4 18.6 1.0 O A:HOH450 2.5 27.2 1.0 OG1 A:THR259 2.5 15.1 1.0 CG A:ASP254 3.2 18.2 1.0 C A:THR259 3.4 15.1 1.0 C A:VAL256 3.4 17.0 1.0 CB A:THR259 3.6 15.3 1.0 OD2 A:ASP254 3.7 16.7 1.0 N A:VAL256 3.9 19.0 1.0 CA A:THR259 3.9 16.0 1.0 CA A:VAL256 4.1 17.2 1.0 N A:THR259 4.1 16.3 1.0 O A:PRO260 4.2 16.6 1.0 N A:ASP254 4.3 20.4 1.0 C A:PRO260 4.3 16.5 1.0 O A:HOH421 4.4 28.9 1.0 CB A:VAL256 4.4 17.1 1.0 CB A:ASP254 4.5 18.5 1.0 N A:ASP257 4.5 17.4 1.0 N A:PRO260 4.5 15.7 1.0 N A:ASN261 4.5 17.7 1.0 O A:HOH498 4.6 40.4 1.0 O A:ASP257 4.6 18.6 1.0 O A:HOH359 4.6 18.1 1.0 O A:HOH336 4.6 34.4 1.0 C A:ASP257 4.6 17.7 1.0 OG A:SER253 4.7 21.4 1.0 CA A:ASP257 4.7 18.3 1.0 O A:ILE239 4.7 16.0 1.0 CA A:ASP254 4.8 18.7 1.0 N A:GLU255 4.8 19.1 1.0 CG2 A:THR259 4.9 15.3 1.0 CA A:PRO260 4.9 16.0 1.0 CA A:ASN261 4.9 17.0 1.0 C A:ASP254 4.9 19.1 1.0

Calcium binding site 3 out of 6 in the Structure of Ulilysin Mutant M290C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Ulilysin Mutant M290C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca997 b:15.7 occ:1.00 O A:TRP240 2.1 14.4 1.0 O A:PRO249 2.2 21.9 1.0 O A:HOH485 2.2 18.5 1.0 O A:GLN262 2.3 14.6 1.0 O A:ALA263 2.3 15.4 1.0 OE1 A:GLU243 2.4 16.8 1.0 OE2 A:GLU243 2.4 17.7 1.0 CD A:GLU243 2.6 15.3 1.0 C A:ALA263 3.2 16.0 1.0 C A:TRP240 3.3 14.5 1.0 C A:PRO249 3.4 22.4 1.0 C A:GLN262 3.4 14.4 1.0 CA A:ALA263 3.5 16.1 1.0 N A:ALA263 3.9 14.9 1.0 CA A:TRP240 4.0 14.0 1.0 CB A:TRP240 4.1 14.4 1.0 CG A:GLU243 4.1 17.0 1.0 O A:ARG252 4.2 22.5 1.0 O A:HOH18 4.2 19.2 1.0 N A:CYS250 4.2 21.9 1.0 O A:HOH359 4.3 18.1 1.0 CA A:CYS250 4.3 22.9 1.0 CA A:PRO249 4.3 22.6 1.0 N A:ASP264 4.4 15.8 1.0 N A:GLY241 4.4 14.4 1.0 CD1 A:TRP240 4.6 15.3 1.0 CA A:GLY241 4.6 15.5 1.0 N A:ARG252 4.7 23.0 1.0 CA A:GLN262 4.7 14.2 1.0 OD1 A:ASN261 4.7 19.2 1.0 C A:CYS250 4.7 22.6 1.0 N A:GLN262 4.8 15.5 1.0 CG A:TRP240 4.8 13.8 1.0 N A:SER251 4.8 22.9 1.0 CB A:GLU243 4.9 16.9 1.0 CB A:PRO249 4.9 22.4 1.0 SG A:CYS277 4.9 23.7 1.0 CB A:ALA263 4.9 17.2 1.0

Calcium binding site 4 out of 6 in the Structure of Ulilysin Mutant M290C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Ulilysin Mutant M290C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1401 b:36.0 occ:1.00 O A:HOH507 2.3 33.3 1.0 O B:HOH504 2.4 25.1 1.0 O A:HOH506 2.4 25.3 1.0 O B:PRO194 2.5 19.0 1.0 O B:HOH505 2.5 21.7 1.0 C B:PRO194 3.6 18.9 1.0 C B:GLY195 3.8 22.5 1.0 N B:GLY196 3.9 21.8 1.0 CA B:GLY195 3.9 21.5 1.0 OE2 A:GLU153 4.0 23.2 1.0 O B:PHE193 4.1 15.8 1.0 N B:GLY195 4.2 19.6 1.0 O B:GLY195 4.3 24.1 1.0 O B:HOH390 4.4 26.5 1.0 OG1 A:THR149 4.4 16.6 1.0 C B:PHE193 4.4 16.5 1.0 OG A:SER151 4.4 19.6 1.0 OE1 A:GLU182 4.5 36.9 1.0 CB B:PHE193 4.5 16.8 1.0 CA B:GLY196 4.5 18.1 1.0 O A:HOH570 4.5 34.7 1.0 O B:HOH352 4.7 32.4 1.0 CG2 A:THR149 4.7 17.0 1.0 N B:PRO194 4.7 17.1 1.0 CA B:PRO194 4.8 17.6 1.0 CB A:SER151 4.8 15.8 1.0 O B:HOH355 4.8 27.6 1.0

Calcium binding site 5 out of 6 in the Structure of Ulilysin Mutant M290C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of Ulilysin Mutant M290C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca998 b:13.8 occ:1.00 O B:HOH559 2.3 16.4 1.0 O B:VAL256 2.3 15.8 1.0 OD2 B:ASP254 2.3 14.1 1.0 O B:THR259 2.4 14.1 1.0 O B:HOH2 2.5 13.4 1.0 O B:HOH1 2.5 19.4 1.0 OG1 B:THR259 2.5 12.6 1.0 O B:HOH428 2.5 26.7 1.0 CG B:ASP254 3.3 16.4 1.0 C B:THR259 3.4 14.2 1.0 C B:VAL256 3.5 16.8 1.0 CB B:THR259 3.6 13.4 1.0 OD1 B:ASP254 3.7 16.2 1.0 CA B:THR259 3.9 14.0 1.0 N B:VAL256 4.0 17.4 1.0 N B:THR259 4.0 13.8 1.0 CA B:VAL256 4.2 16.4 1.0 O B:PRO260 4.3 15.3 1.0 C B:PRO260 4.3 15.3 1.0 CB B:VAL256 4.4 16.0 1.0 N B:ASP254 4.4 17.0 1.0 N B:ASN261 4.5 16.1 1.0 N B:PRO260 4.5 14.2 1.0 O B:ASP257 4.5 17.9 1.0 N B:ASP257 4.6 16.8 1.0 CB B:ASP254 4.6 15.3 1.0 O B:HOH512 4.6 25.0 1.0 C B:ASP257 4.6 17.1 1.0 O B:HOH3 4.7 13.6 1.0 O B:HOH476 4.7 28.5 1.0 OG B:SER253 4.7 16.1 1.0 O B:ILE239 4.7 14.5 1.0 CA B:ASP257 4.8 17.8 1.0 CA B:ASN261 4.8 16.6 1.0 N B:GLU255 4.8 18.2 1.0 CA B:PRO260 4.9 15.2 1.0 CG2 B:THR259 4.9 12.6 1.0 O B:HOH536 4.9 42.7 1.0 CA B:ASP254 4.9 16.1 1.0

Calcium binding site 6 out of 6 in the Structure of Ulilysin Mutant M290C


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of Ulilysin Mutant M290C within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca997 b:14.2 occ:1.00 O B:TRP240 2.1 12.8 1.0 O B:PRO249 2.2 19.1 1.0 O B:HOH560 2.2 16.3 1.0 O B:GLN262 2.3 13.7 1.0 OE1 B:GLU243 2.4 16.4 1.0 O B:ALA263 2.4 14.1 1.0 OE2 B:GLU243 2.4 13.9 1.0 CD B:GLU243 2.7 16.3 1.0 C B:ALA263 3.3 13.1 1.0 C B:TRP240 3.3 12.6 1.0 C B:PRO249 3.4 19.2 1.0 C B:GLN262 3.4 14.7 1.0 CA B:ALA263 3.5 14.2 1.0 N B:ALA263 3.9 14.4 1.0 CA B:TRP240 4.0 13.1 1.0 CB B:TRP240 4.1 12.2 1.0 CG B:GLU243 4.2 13.4 1.0 O B:HOH5 4.2 18.1 1.0 O B:HOH3 4.2 13.6 1.0 O B:ARG252 4.2 18.1 1.0 CA B:PRO249 4.3 19.5 1.0 N B:CYS250 4.3 19.7 1.0 CA B:CYS250 4.3 20.7 1.0 N B:GLY241 4.3 12.3 1.0 N B:ASP264 4.5 13.5 1.0 CA B:GLY241 4.6 14.3 1.0 CD1 B:TRP240 4.6 14.1 1.0 CA B:GLN262 4.7 14.6 1.0 C B:CYS250 4.7 20.0 1.0 OD1 B:ASN261 4.7 20.1 1.0 N B:ARG252 4.7 17.6 1.0 N B:GLN262 4.8 14.8 1.0 N B:SER251 4.8 20.5 1.0 CG B:TRP240 4.8 13.9 1.0 CB B:PRO249 4.8 19.8 1.0 SG B:CYS277 4.9 22.6 1.0 CB B:ALA263 4.9 14.4 1.0 C B:GLY241 5.0 14.5 1.0

C.Tallant, R.Garcia-Castellanos, U.Baumann, F.X.Gomis-Ruth. On the Relevance of the Met-Turn Methionine in Metzincins. J.Biol.Chem. V. 285 13951 2010.
ISSN: ISSN 0021-9258
PubMed: 20202937
DOI: 10.1074/JBC.M109.083378