Zinc in PDB 7s7l: Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)

Enzymatic activity of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)

All present enzymatic activity of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD):
3.4.24.17;

Protein crystallography data

The structure of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD), PDB code: 7s7l was solved by M.Coban, M.Raeeszadeh-Sarmazdeh, A.Hockla, B.Sankaran, E.S.Radisky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.60 / 2.34
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 69.332, 69.332, 312.215, 90, 90, 120
R / Rfree (%) 20.6 / 23.9

Other elements in 7s7l:

The structure of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Calcium (Ca) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) (pdb code 7s7l). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD), PDB code: 7s7l:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7s7l

Go back to Zinc Binding Sites List in 7s7l
Zinc binding site 1 out of 2 in the Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:41.5
occ:1.00
 NE2 A:HIS211 2.0 35.8 1.0
NE2 A:HIS201 2.0 74.0 1.0
NE2 A:HIS205 2.1 45.6 1.0
N B:CYS1 2.2 68.9 1.0
O B:CYS1 2.3 46.4 1.0
CD2 A:HIS205 2.7 15.4 1.0
C B:CYS1 2.8 31.3 1.0
CD2 A:HIS211 2.8 34.3 1.0
CA B:CYS1 2.9 51.1 1.0
CD2 A:HIS201 3.0 30.3 1.0
CE1 A:HIS201 3.1 36.2 1.0
CE1 A:HIS211 3.1 36.0 1.0
CE1 A:HIS205 3.3 36.1 1.0
CB B:CYS1 3.4 42.5 1.0
CG A:HIS205 4.0 19.7 1.0
OE2 A:GLU202 4.0 52.0 1.0
N B:THR2 4.0 42.9 1.0
CG A:HIS211 4.1 34.3 1.0
CG A:HIS201 4.1 32.2 1.0
ND1 A:HIS211 4.1 30.7 1.0
ND1 A:HIS201 4.2 40.0 1.0
ND1 A:HIS205 4.2 32.4 1.0
OE1 A:GLU202 4.3 54.0 1.0
CD A:GLU202 4.5 53.3 1.0
O B:TYR67 4.7 39.8 1.0
CA A:PRO221 4.8 42.3 1.0
CE A:MET219 4.8 32.6 1.0
CA B:SER68 4.8 42.0 1.0
SG B:CYS1 4.8 63.2 1.0
CA B:THR2 4.8 48.8 1.0
O B:SER68 4.8 34.5 1.0
CB A:PRO221 4.9 35.2 1.0
OG1 B:THR2 4.9 39.2 1.0

Zinc binding site 2 out of 2 in 7s7l

Go back to Zinc Binding Sites List in 7s7l
Zinc binding site 2 out of 2 in the Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66S/E67Y/L133N/S155L) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn305

b:43.2
occ:1.00
 OD2 A:ASP153 2.0 45.0 1.0
ND1 A:HIS179 2.0 46.6 1.0
NE2 A:HIS151 2.0 43.4 1.0
NE2 A:HIS166 2.0 46.5 1.0
CE1 A:HIS166 2.9 31.8 1.0
CG A:HIS179 2.9 51.4 1.0
CG A:ASP153 3.0 49.2 1.0
CE1 A:HIS151 3.0 39.2 1.0
CE1 A:HIS179 3.0 40.7 1.0
CD2 A:HIS151 3.0 32.8 1.0
CD2 A:HIS166 3.1 47.2 1.0
CB A:HIS179 3.2 31.7 1.0
OD1 A:ASP153 3.6 66.9 1.0
CD2 A:HIS179 4.1 35.1 1.0
CB A:ASP153 4.1 50.6 1.0
NE2 A:HIS179 4.1 52.9 1.0
ND1 A:HIS166 4.1 38.6 1.0
OH A:TYR168 4.1 43.6 1.0
ND1 A:HIS151 4.1 47.4 1.0
CG A:HIS151 4.2 53.8 1.0
CG A:HIS166 4.2 47.7 1.0
O A:TYR155 4.2 38.2 1.0
CE1 A:TYR168 4.5 37.8 1.0
CZ A:PHE157 4.6 37.6 1.0
CE2 A:PHE157 4.7 42.2 1.0
CA A:HIS179 4.8 34.1 1.0
CZ A:TYR168 4.8 48.0 1.0

Reference:

M.Raeeszadeh-Sarmazdeh, M.Coban, S.Mahajan, A.Hockla, B.Sankaran, G.P.Downey, D.C.Radisky, E.S.Radisky. Engineering of Tissue Inhibitor of Metalloproteinases Timp-1 For Fine Discrimination Between Closely Related Stromelysins Mmp-3 and Mmp-10. J.Biol.Chem. V. 298 01654 2022.
ISSN: ESSN 1083-351X
PubMed: 35101440
DOI: 10.1016/J.JBC.2022.101654
Page generated: Wed Oct 30 10:38:58 2024

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