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Zinc in PDB 1ciz: X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity

Enzymatic activity of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity

All present enzymatic activity of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity:
3.4.24.17;

Protein crystallography data

The structure of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity, PDB code: 1ciz was solved by A.G.Pavlovsky, M.G.Williams, Q.-Z.Ye, D.F.Ortwine, C.F.Purchase Ii, A.D.White, V.Dhanaraj, B.D.Roth, L.L.Johnson, D.Hupe, C.Humblet, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.64
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.370, 69.370, 74.400, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 24.5

Other elements in 1ciz:

The structure of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity also contains other interesting chemical elements:

Calcium (Ca) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity (pdb code 1ciz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity, PDB code: 1ciz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1ciz

Go back to Zinc Binding Sites List in 1ciz
Zinc binding site 1 out of 2 in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:10.5
occ:1.00
O4 A:DPS307 2.1 11.3 1.0
NE2 A:HIS211 2.2 8.9 1.0
NE2 A:HIS201 2.2 9.7 1.0
NE2 A:HIS205 2.2 8.7 1.0
O3 A:DPS307 2.6 8.2 1.0
C9 A:DPS307 2.7 11.2 1.0
CD2 A:HIS201 3.0 8.7 1.0
CE1 A:HIS211 3.1 8.8 1.0
CE1 A:HIS205 3.1 9.1 1.0
CD2 A:HIS205 3.2 8.3 1.0
CD2 A:HIS211 3.2 9.3 1.0
CE1 A:HIS201 3.2 8.5 1.0
C25 A:DPS307 4.1 23.4 1.0
C8 A:DPS307 4.2 10.6 1.0
CG A:HIS201 4.2 7.8 1.0
ND1 A:HIS211 4.2 11.0 1.0
ND1 A:HIS205 4.3 7.6 1.0
ND1 A:HIS201 4.3 7.5 1.0
CG A:HIS205 4.3 8.0 1.0
CG A:HIS211 4.3 11.2 1.0
O A:HOH471 4.4 14.9 1.0
C26 A:DPS307 4.4 24.5 1.0
C24 A:DPS307 4.5 21.0 1.0
CE A:MET219 4.7 6.4 1.0
N A:DPS307 4.8 11.3 1.0
OE2 A:GLU202 4.8 5.8 1.0
C3 A:DPS307 4.8 10.0 1.0
C28 A:DPS307 4.9 19.3 1.0
C4 A:DPS307 5.0 11.2 1.0
C20 A:DPS307 5.0 13.6 1.0

Zinc binding site 2 out of 2 in 1ciz

Go back to Zinc Binding Sites List in 1ciz
Zinc binding site 2 out of 2 in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:11.0
occ:1.00
NE2 A:HIS166 2.1 9.6 1.0
NE2 A:HIS151 2.1 7.7 1.0
OD2 A:ASP153 2.2 11.9 1.0
ND1 A:HIS179 2.2 14.6 1.0
CD2 A:HIS151 3.0 6.7 1.0
CG A:ASP153 3.0 11.7 1.0
CE1 A:HIS166 3.0 7.6 1.0
OD1 A:ASP153 3.2 11.8 1.0
CD2 A:HIS166 3.2 8.5 1.0
CG A:HIS179 3.2 14.8 1.0
CE1 A:HIS179 3.2 14.4 1.0
CE1 A:HIS151 3.2 6.9 1.0
CB A:HIS179 3.5 10.8 1.0
OH A:TYR168 3.9 15.6 1.0
O A:TYR155 4.2 9.8 1.0
CG A:HIS151 4.2 7.8 1.0
ND1 A:HIS166 4.2 7.7 1.0
CE1 A:TYR168 4.3 12.4 1.0
ND1 A:HIS151 4.3 7.3 1.0
CG A:HIS166 4.3 8.4 1.0
NE2 A:HIS179 4.3 14.0 1.0
CD2 A:HIS179 4.4 16.6 1.0
CB A:ASP153 4.4 10.8 1.0
CZ A:PHE157 4.5 7.9 1.0
CZ A:TYR168 4.6 14.8 1.0
CE2 A:PHE157 4.6 7.8 1.0
O A:HOH439 4.9 36.7 1.0

Reference:

A.G.Pavlovsky, M.G.Williams, Q.Z.Ye, D.F.Ortwine, C.F.Purchase Ii, A.D.White, V.Dhanaraj, B.D.Roth, L.L.Johnson, D.Hupe, C.Humblet, T.L.Blundell. X-Ray Structure of Human Stromelysin Catalytic Domain Complexed with Nonpeptide Inhibitors: Implications For Inhibitor Selectivity. Protein Sci. V. 8 1455 1999.
ISSN: ISSN 0961-8368
PubMed: 10422833
Page generated: Wed Dec 16 02:46:32 2020

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