Zinc in PDB 3cnq: Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM

All present enzymatic activity of Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM:
3.4.21.62;

The structure of Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM, PDB code: 3cnq was solved by D.T.Gallagher, P.N.Bryan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.195, 72.941, 93.112, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.2

The binding sites of Zinc atom in the Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM (pdb code 3cnq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM, PDB code: 3cnq:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM within 5.0Å range: probe atom residue distance (Å) B Occ S:Zn278 b:39.3 occ:1.00 O S:ALA169 2.3 11.5 1.0 O S:TYR171 2.4 14.2 1.0 O S:VAL174 2.4 13.8 1.0 O S:HOH319 2.5 20.8 1.0 C S:TYR171 3.3 15.1 1.0 C S:VAL174 3.5 13.0 1.0 C S:ALA169 3.5 11.6 1.0 C S:LYS170 3.9 14.1 1.0 N S:TYR171 3.9 14.4 1.0 CA S:PRO172 4.0 15.8 1.0 OD2 S:ASP197 4.0 21.7 1.0 N S:PRO172 4.1 15.8 1.0 N S:VAL174 4.1 13.3 1.0 CB S:ALA176 4.1 11.4 1.0 O S:PRO172 4.1 16.9 1.0 CA S:VAL174 4.1 11.7 1.0 C S:PRO172 4.1 16.5 1.0 O S:GLU195 4.1 17.8 1.0 O S:LYS170 4.2 15.1 1.0 CB S:VAL174 4.2 11.5 1.0 CA S:TYR171 4.3 15.3 1.0 CA S:LYS170 4.3 13.4 1.0 N S:ALA176 4.3 12.8 1.0 N S:LYS170 4.3 11.5 1.0 CA S:ALA169 4.5 12.5 1.0 NH2 S:ARG247 4.5 20.7 1.0 N S:ILE175 4.6 12.5 1.0 C S:ILE175 4.7 12.5 1.0 CA S:ALA176 4.7 11.6 1.0 CA S:ILE175 4.8 13.1 1.0 N S:SER173 4.8 14.8 1.0 O S:PRO168 4.9 12.2 1.0 CG1 S:VAL174 4.9 12.1 1.0 CB S:GLU195 4.9 19.6 1.0

Zinc binding site 2 out of 5 in the Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM within 5.0Å range: probe atom residue distance (Å) B Occ S:Zn279 b:21.0 occ:1.00 ND1 S:HIS238 2.1 16.2 1.0 O S:HOH401 2.4 8.3 1.0 CE1 S:HIS238 3.0 19.2 1.0 CG S:HIS238 3.1 15.9 1.0 CB S:HIS238 3.4 14.7 1.0 CA S:HIS238 3.5 15.3 1.0 NE1 S:TRP241 3.9 16.9 1.0 O S:LYS237 4.0 14.7 1.0 NE2 S:HIS238 4.2 16.2 1.0 CD2 S:HIS238 4.2 15.7 1.0 CD1 S:TRP241 4.4 15.9 1.0 N S:HIS238 4.5 13.7 1.0 C S:HIS238 4.5 15.7 1.0 C S:LYS237 4.6 14.2 1.0 CE2 S:TRP241 4.7 16.3 1.0 O S:HOH326 4.8 38.8 1.0 CD S:PRO239 5.0 15.9 1.0

Zinc binding site 3 out of 5 in the Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM within 5.0Å range: probe atom residue distance (Å) B Occ S:Zn280 b:52.7 occ:1.00 ND1 S:HIS39 2.0 26.2 1.0 OD1 S:ASP41 2.3 41.6 1.0 CE1 S:HIS39 2.9 23.8 1.0 CD S:PRO40 3.1 39.8 1.0 CG S:HIS39 3.1 30.1 1.0 N S:ASP41 3.2 42.7 1.0 CG S:ASP41 3.2 42.4 1.0 N S:PRO40 3.3 39.9 1.0 CB S:HIS39 3.5 34.5 1.0 C S:HIS39 3.7 38.0 1.0 CB S:ASP41 3.8 42.4 1.0 CA S:HIS39 3.9 35.3 1.0 CG S:PRO40 3.9 40.5 1.0 CB S:PRO40 4.0 41.0 1.0 CA S:PRO40 4.0 41.1 1.0 CA S:ASP41 4.0 41.6 1.0 NE2 S:HIS39 4.0 27.6 1.0 C S:PRO40 4.1 42.3 1.0 OH S:TYR214 4.1 38.1 1.0 N S:LEU42 4.1 39.2 1.0 CD2 S:HIS39 4.2 27.6 1.0 OD2 S:ASP41 4.2 39.4 1.0 CG2 S:THR208 4.2 21.2 1.0 CE2 S:TYR214 4.2 40.2 1.0 O S:HIS39 4.4 38.6 1.0 CZ S:TYR214 4.5 38.6 1.0 C S:ASP41 4.7 41.0 1.0

Zinc binding site 4 out of 5 in the Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM within 5.0Å range: probe atom residue distance (Å) B Occ S:Zn281 b:35.1 occ:1.00 ND1 S:HIS17 2.1 19.2 1.0 O S:HOH339 2.2 25.4 1.0 CE1 S:HIS17 3.0 18.1 1.0 CG S:HIS17 3.1 18.6 1.0 CB S:HIS17 3.5 16.8 1.0 NE2 S:HIS17 4.2 15.8 1.0 CD2 S:HIS17 4.2 17.7 1.0 O S:HOH532 4.6 39.3 1.0 CA S:PRO14 4.6 17.7 1.0 CB S:PRO14 4.7 18.5 1.0 CG S:PRO14 4.9 18.2 1.0

Zinc binding site 5 out of 5 in the Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM within 5.0Å range: probe atom residue distance (Å) B Occ S:Zn282 b:30.3 occ:1.00 O S:HOH473 2.0 20.7 1.0 OD2 S:ASP259 2.2 25.3 1.0 CG S:ASP259 3.1 26.6 1.0 OD1 S:ASP259 3.4 28.0 1.0 CB S:ASP259 4.4 24.8 1.0 CE2 S:TYR262 4.9 21.5 1.0

B.Ruan, V.London, K.E.Fisher, D.T.Gallagher, P.N.Bryan. Engineering Substrate Preference in Subtilisin: Structural and Kinetic Analysis of A Specificity Mutant. Biochemistry V. 47 6628 2008.
ISSN: ISSN 0006-2960
PubMed: 18507395
DOI: 10.1021/BI800089F