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Zinc in PDB 3bgo: Azide Complex of Engineered Subtilisin SUBT_BACAM

Enzymatic activity of Azide Complex of Engineered Subtilisin SUBT_BACAM

All present enzymatic activity of Azide Complex of Engineered Subtilisin SUBT_BACAM:
3.4.21.62;

Protein crystallography data

The structure of Azide Complex of Engineered Subtilisin SUBT_BACAM, PDB code: 3bgo 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) 8.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.290, 72.840, 95.020, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 26.2

Zinc Binding Sites:

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

Zinc binding site 1 out of 4 in 3bgo

Go back to Zinc Binding Sites List in 3bgo
Zinc binding site 1 out of 4 in the Azide Complex of Engineered 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 Azide Complex of Engineered Subtilisin SUBT_BACAM within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Zn278

b:43.1
occ:1.00
 O S:TYR171 2.2 17.2 1.0
O S:VAL174 2.3 14.1 1.0
O S:ALA169 2.4 14.7 1.0
O S:HOH319 2.6 22.3 1.0
C S:TYR171 3.2 17.2 1.0
C S:VAL174 3.4 14.8 1.0
C S:ALA169 3.6 16.3 1.0
C S:LYS170 3.9 16.6 1.0
N S:VAL174 3.9 15.4 1.0
N S:TYR171 3.9 15.6 1.0
N S:PRO172 3.9 17.9 1.0
CA S:PRO172 3.9 17.4 1.0
CA S:VAL174 4.0 15.2 1.0
O S:PRO172 4.0 17.8 1.0
OD2 S:ASP197 4.0 22.2 1.0
C S:PRO172 4.0 18.0 1.0
CB S:VAL174 4.1 15.6 1.0
O S:LYS170 4.1 16.4 1.0
CA S:TYR171 4.1 16.9 1.0
CB S:ALA176 4.3 15.2 1.0
O S:GLU195 4.3 17.4 1.0
N S:ALA176 4.3 14.2 1.0
CA S:LYS170 4.4 16.4 1.0
N S:LYS170 4.4 15.4 1.0
N S:ILE175 4.5 14.5 1.0
NH2 S:ARG247 4.5 22.1 1.0
CA S:ALA169 4.6 16.0 1.0
C S:ILE175 4.7 13.4 1.0
N S:SER173 4.7 17.6 1.0
CA S:ILE175 4.8 14.8 1.0
O S:PRO168 4.8 15.7 1.0
CG1 S:VAL174 4.8 11.5 1.0
CA S:ALA176 4.9 14.4 1.0
O S:HOH581 4.9 31.6 1.0
CB S:GLU195 5.0 18.6 1.0

Zinc binding site 2 out of 4 in 3bgo

Go back to Zinc Binding Sites List in 3bgo
Zinc binding site 2 out of 4 in the Azide Complex of Engineered 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 Azide Complex of Engineered Subtilisin SUBT_BACAM within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Zn279

b:23.0
occ:1.00
 ND1 S:HIS238 2.2 19.4 1.0
O S:HOH287 2.3 11.3 1.0
CE1 S:HIS238 3.1 18.8 1.0
CG S:HIS238 3.2 20.6 1.0
CB S:HIS238 3.5 19.5 1.0
CA S:HIS238 3.6 19.7 1.0
NE1 S:TRP241 3.8 17.7 1.0
O S:LYS237 4.0 19.2 1.0
NE2 S:HIS238 4.2 16.3 1.0
O S:HOH575 4.2 43.9 1.0
CD2 S:HIS238 4.3 19.6 1.0
CD1 S:TRP241 4.3 18.5 1.0
N S:HIS238 4.6 18.3 1.0
C S:HIS238 4.6 19.3 1.0
CE2 S:TRP241 4.6 20.4 1.0
C S:LYS237 4.6 19.2 1.0
O S:HOH326 4.9 18.5 1.0
CD S:PRO239 5.0 19.6 1.0

Zinc binding site 3 out of 4 in 3bgo

Go back to Zinc Binding Sites List in 3bgo
Zinc binding site 3 out of 4 in the Azide Complex of Engineered 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 Azide Complex of Engineered Subtilisin SUBT_BACAM within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Zn280

b:41.8
occ:1.00
 ND1 S:HIS39 2.0 33.2 1.0
CD S:PRO40 2.6 42.6 1.0
OD2 S:ASP41 2.7 48.6 1.0
CG S:HIS39 3.0 35.7 1.0
CE1 S:HIS39 3.1 30.9 1.0
CB S:HIS39 3.2 38.3 1.0
CG S:ASP41 3.6 45.0 1.0
N S:PRO40 3.6 42.4 1.0
OD1 S:ASP41 3.7 48.1 1.0
CG S:PRO40 3.7 43.4 1.0
CA S:HIS39 3.8 39.1 1.0
CG2 S:THR208 4.0 25.7 1.0
C S:HIS39 4.1 41.2 1.0
CD2 S:HIS39 4.1 32.1 1.0
NE2 S:HIS39 4.1 30.1 1.0
CA S:PRO40 4.8 42.9 1.0
CB S:PRO40 4.9 42.7 1.0
N S:ASP41 5.0 41.5 1.0

Zinc binding site 4 out of 4 in 3bgo

Go back to Zinc Binding Sites List in 3bgo
Zinc binding site 4 out of 4 in the Azide Complex of Engineered 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 Azide Complex of Engineered Subtilisin SUBT_BACAM within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Zn281

b:27.6
occ:1.00
 ND1 S:HIS17 2.1 18.9 1.0
CE1 S:HIS17 3.1 19.8 1.0
CG S:HIS17 3.1 18.5 1.0
CB S:HIS17 3.4 17.1 1.0
NE2 S:HIS17 4.2 17.0 1.0
CD2 S:HIS17 4.2 18.7 1.0
CA S:PRO14 4.4 21.0 1.0
CB S:PRO14 4.6 21.5 1.0
CG S:PRO14 4.8 22.7 1.0
O S:HOH529 4.8 25.2 1.0
CA S:HIS17 4.9 16.4 1.0

Reference:

T.Gallagher, B.Ruan, M.London, M.A.Bryan, P.N.Bryan. Structure of A Switchable Subtilisin Complexed with A Substrate and with the Activator Azide. Biochemistry V. 48 10389 2009.
ISSN: ISSN 0006-2960
PubMed: 19761257
DOI: 10.1021/BI900577N
Page generated: Thu Oct 24 11:29:34 2024

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