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Zinc in PDB 2usn: Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803:
3.4.24.17;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803, PDB code: 2usn was solved by B.C.Finzel, G.L.Bryant Junior, E.T.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.20
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 70.890, 70.890, 189.110, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 2usn:

The structure of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803 also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803 (pdb code 2usn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803, PDB code: 2usn:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 2usn

Go back to Zinc Binding Sites List in 2usn
Zinc binding site 1 out of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn257

b:8.6
occ:1.00
 NE2 A:HIS201 2.0 7.4 1.0
NE2 A:HIS211 2.0 5.5 1.0
NE2 A:HIS205 2.1 5.9 1.0
S2 A:IN8300 2.3 13.1 1.0
CE1 A:HIS201 2.9 5.5 1.0
CD2 A:HIS211 2.9 6.5 1.0
CE1 A:HIS205 2.9 7.5 1.0
CE1 A:HIS211 3.0 5.3 1.0
CD2 A:HIS201 3.1 6.7 1.0
C2 A:IN8300 3.1 14.0 1.0
CD2 A:HIS205 3.2 5.0 1.0
S1 A:IN8300 3.9 15.9 1.0
N2 A:IN8300 3.9 13.6 1.0
ND1 A:HIS211 4.0 5.9 1.0
ND1 A:HIS201 4.0 4.4 1.0
CG A:HIS211 4.0 7.3 1.0
ND1 A:HIS205 4.1 5.4 1.0
CG A:HIS201 4.2 4.7 1.0
O A:HOH305 4.2 24.1 0.8
CG A:HIS205 4.3 5.7 1.0
O A:HOH306 4.7 14.5 1.0
OE2 A:GLU202 4.7 11.6 1.0
CE A:MET219 4.8 2.0 1.0
N1 A:IN8300 5.0 13.6 1.0

Zinc binding site 2 out of 3 in 2usn

Go back to Zinc Binding Sites List in 2usn
Zinc binding site 2 out of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn258

b:11.9
occ:1.00
 OD2 A:ASP153 2.0 13.1 1.0
ND1 A:HIS179 2.0 7.6 1.0
NE2 A:HIS151 2.1 9.3 1.0
NE2 A:HIS166 2.1 8.7 1.0
CD2 A:HIS151 2.8 9.1 1.0
CD2 A:HIS166 2.9 7.8 1.0
CE1 A:HIS179 3.0 8.3 1.0
CG A:ASP153 3.0 13.1 1.0
CG A:HIS179 3.0 8.7 1.0
CE1 A:HIS166 3.2 7.3 1.0
CE1 A:HIS151 3.2 8.8 1.0
OD1 A:ASP153 3.3 11.9 1.0
CB A:HIS179 3.5 7.4 1.0
CG A:HIS151 4.1 9.3 1.0
NE2 A:HIS179 4.1 6.6 1.0
CD2 A:HIS179 4.1 7.3 1.0
CG A:HIS166 4.1 7.7 1.0
OH A:TYR168 4.1 12.6 1.0
ND1 A:HIS151 4.2 9.1 1.0
ND1 A:HIS166 4.2 7.6 1.0
O A:TYR155 4.3 16.2 1.0
CB A:ASP153 4.3 14.4 1.0
CZ A:PHE157 4.4 9.1 1.0
CE2 A:PHE157 4.5 8.9 1.0
CE1 A:TYR168 4.6 12.2 1.0
CZ A:TYR168 4.9 10.4 1.0
CA A:HIS179 4.9 7.5 1.0

Zinc binding site 3 out of 3 in 2usn

Go back to Zinc Binding Sites List in 2usn
Zinc binding site 3 out of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-141803 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:7.7
occ:0.33
 NE2 A:HIS96 2.1 6.0 1.0
O A:HOH263 2.3 19.1 0.3
CE1 A:HIS96 2.9 6.6 1.0
CD2 A:HIS96 3.2 8.4 1.0
O A:HOH264 3.5 19.8 1.0
ND1 A:HIS96 4.1 8.3 1.0
CG A:HIS96 4.2 7.7 1.0
CB A:LYS94 4.8 11.1 1.0

Reference:

B.C.Finzel, E.T.Baldwin, G.L.Bryant Jr., G.F.Hess, J.W.Wilks, C.M.Trepod, J.E.Mott, V.P.Marshall, G.L.Petzold, R.A.Poorman, T.J.O'sullivan, H.J.Schostarez, M.A.Mitchell. Structural Characterizations of Nonpeptidic Thiadiazole Inhibitors of Matrix Metalloproteinases Reveal the Basis For Stromelysin Selectivity. Protein Sci. V. 7 2118 1998.
ISSN: ISSN 0961-8368
PubMed: 9792098
Page generated: Thu Oct 17 03:57:42 2024

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