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Zinc in PDB 1b8y: X-Ray Structure of Human Stromelysin Catalytic Domain Complexed with Non-Peptide Inhibitors: Implications For Inhibitor Selectivity

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

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

Protein crystallography data

The structure of X-Ray Structure of Human Stromelysin Catalytic Domain Complexed with Non-Peptide Inhibitors: Implications For Inhibitor Selectivity, PDB code: 1b8y 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 / 2.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.970, 69.970, 77.670, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 21.4

Other elements in 1b8y:

The structure of X-Ray Structure of Human Stromelysin Catalytic Domain Complexed with Non-Peptide Inhibitors: Implications 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 Complexed with Non-Peptide Inhibitors: Implications For Inhibitor Selectivity (pdb code 1b8y). 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 Complexed with Non-Peptide Inhibitors: Implications For Inhibitor Selectivity, PDB code: 1b8y:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1b8y

Go back to Zinc Binding Sites List in 1b8y
Zinc binding site 1 out of 2 in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexed with Non-Peptide Inhibitors: Implications 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 Complexed with Non-Peptide Inhibitors: Implications For Inhibitor Selectivity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:19.5
occ:1.00
O4 A:IN7502 2.0 18.4 1.0
NE2 A:HIS205 2.2 17.1 1.0
NE2 A:HIS201 2.2 11.3 1.0
NE2 A:HIS211 2.2 14.9 1.0
C9 A:IN7502 2.7 16.7 1.0
O3 A:IN7502 2.9 17.1 1.0
CD2 A:HIS201 3.0 13.0 1.0
CE1 A:HIS205 3.0 16.4 1.0
CE1 A:HIS211 3.2 17.2 1.0
CD2 A:HIS211 3.2 18.7 1.0
CE1 A:HIS201 3.3 12.0 1.0
CD2 A:HIS205 3.3 14.5 1.0
C8 A:IN7502 4.2 17.3 1.0
CG A:HIS201 4.2 12.7 1.0
ND1 A:HIS205 4.3 17.7 1.0
O A:HOH406 4.3 21.2 1.0
ND1 A:HIS211 4.3 20.0 1.0
ND1 A:HIS201 4.3 13.1 1.0
CG A:HIS211 4.3 19.4 1.0
CG A:HIS205 4.4 15.5 1.0
CE A:MET219 4.6 8.3 1.0
C5 A:IN7502 4.7 18.2 1.0
O A:HOH467 4.8 44.5 1.0
OE2 A:GLU202 4.8 13.9 1.0
C6 A:IN7502 5.0 17.9 1.0
N2 A:IN7502 5.0 19.6 1.0

Zinc binding site 2 out of 2 in 1b8y

Go back to Zinc Binding Sites List in 1b8y
Zinc binding site 2 out of 2 in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexed with Non-Peptide Inhibitors: Implications 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 Complexed with Non-Peptide Inhibitors: Implications For Inhibitor Selectivity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:16.8
occ:1.00
NE2 A:HIS166 2.1 11.0 1.0
OD2 A:ASP153 2.2 16.9 1.0
NE2 A:HIS151 2.2 12.1 1.0
ND1 A:HIS179 2.2 15.4 1.0
CG A:ASP153 3.0 15.9 1.0
CD2 A:HIS151 3.1 12.1 1.0
CE1 A:HIS166 3.1 9.9 1.0
OD1 A:ASP153 3.1 14.8 1.0
CE1 A:HIS179 3.1 13.9 1.0
CD2 A:HIS166 3.2 11.8 1.0
CG A:HIS179 3.2 14.7 1.0
CE1 A:HIS151 3.2 12.0 1.0
CB A:HIS179 3.6 12.4 1.0
OH A:TYR168 3.9 16.7 1.0
CG A:HIS151 4.2 11.5 1.0
ND1 A:HIS166 4.2 11.5 1.0
NE2 A:HIS179 4.3 14.3 1.0
O A:TYR155 4.3 21.8 1.0
CG A:HIS166 4.3 9.7 1.0
CE1 A:TYR168 4.3 17.3 1.0
ND1 A:HIS151 4.3 13.0 1.0
CD2 A:HIS179 4.3 16.4 1.0
CB A:ASP153 4.4 14.7 1.0
CZ A:PHE157 4.6 12.0 1.0
CE2 A:PHE157 4.6 11.7 1.0
CZ A:TYR168 4.6 17.4 1.0
O A:HOH415 5.0 14.6 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: Sat Oct 12 22:26:36 2024

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