Zinc in PDB 7s7m: Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)

Enzymatic activity of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)

All present enzymatic activity of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66D/T98G/P131S/Q153N) 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/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD), PDB code: 7s7m was solved by M.Coban, M.Raeeszadeh-Sarmazdeh, B.Sankaran, A.Hockla, E.S.Radisky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.63 / 3.00
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 69.28, 69.28, 318.98, 90, 90, 120
R / Rfree (%) 20.2 / 24.8

Other elements in 7s7m:

The structure of Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) also contains other interesting chemical elements:

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/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) (pdb code 7s7m). 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/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD), PDB code: 7s7m:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 7s7m

Go back to Zinc Binding Sites List in 7s7m
Zinc binding site 1 out of 2 in the Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66D/T98G/P131S/Q153N) 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/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:46.0
occ:1.00
 NE2 A:HIS211 1.9 65.2 1.0
N B:CYS1 2.1 90.8 1.0
NE2 A:HIS205 2.2 62.1 1.0
NE2 A:HIS201 2.3 48.6 1.0
O B:CYS1 2.3 84.5 1.0
CA B:CYS1 2.6 78.9 1.0
C B:CYS1 2.7 74.3 1.0
CE1 A:HIS211 2.8 56.0 1.0
CD2 A:HIS205 3.0 54.7 1.0
CD2 A:HIS211 3.0 56.2 1.0
CB B:CYS1 3.0 90.3 1.0
CD2 A:HIS201 3.1 51.7 1.0
CE1 A:HIS205 3.3 53.2 1.0
CE1 A:HIS201 3.4 45.1 1.0
N B:THR2 3.9 74.8 1.0
ND1 A:HIS211 4.0 55.4 1.0
CG A:HIS211 4.1 71.1 1.0
CG A:HIS205 4.2 57.6 1.0
ND1 A:HIS205 4.3 49.7 1.0
CG A:HIS201 4.3 43.8 1.0
ND1 A:HIS201 4.4 45.5 1.0
OE2 A:GLU202 4.4 76.0 1.0
SG B:CYS1 4.4 113.8 1.0
O B:SER68 4.5 60.0 1.0
OE1 A:GLU202 4.7 94.6 1.0
CA B:SER68 4.7 63.1 1.0
CA B:THR2 4.7 62.3 1.0
CE A:MET219 4.8 50.5 1.0
OG1 B:THR2 4.9 81.7 1.0
CD A:GLU202 4.9 78.4 1.0
O B:GLU67 4.9 55.3 1.0
CA A:PRO221 5.0 67.9 1.0

Zinc binding site 2 out of 2 in 7s7m

Go back to Zinc Binding Sites List in 7s7m
Zinc binding site 2 out of 2 in the Complex of Tissue Inhibitor of Metalloproteinases-1 (Timp-1) Mutant (L34G/M66D/T98G/P131S/Q153N) 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/M66D/T98G/P131S/Q153N) with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn305

b:58.3
occ:1.00
 ND1 A:HIS179 1.9 80.2 1.0
NE2 A:HIS166 2.0 63.8 1.0
OD2 A:ASP153 2.1 103.7 1.0
NE2 A:HIS151 2.1 89.6 1.0
CE1 A:HIS179 2.7 83.3 1.0
CG A:ASP153 2.7 94.8 1.0
CE1 A:HIS166 2.9 52.5 1.0
OD1 A:ASP153 2.9 102.0 1.0
CG A:HIS179 3.0 64.6 1.0
CE1 A:HIS151 3.0 77.0 1.0
CD2 A:HIS166 3.1 52.4 1.0
CD2 A:HIS151 3.1 85.6 1.0
CB A:HIS179 3.5 51.6 1.0
NE2 A:HIS179 3.8 71.6 1.0
O A:TYR155 3.9 76.8 1.0
CD2 A:HIS179 4.0 68.3 1.0
OH A:TYR168 4.0 62.6 1.0
ND1 A:HIS166 4.0 55.8 1.0
CB A:ASP153 4.1 96.5 1.0
ND1 A:HIS151 4.1 85.8 1.0
CG A:HIS166 4.2 48.2 1.0
CG A:HIS151 4.2 85.8 1.0
CE1 A:TYR168 4.5 63.2 1.0
CE2 A:PHE157 4.6 57.2 1.0
CZ A:PHE157 4.7 56.2 1.0
CZ A:TYR168 4.8 56.6 1.0
C A:TYR155 5.0 83.2 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 10:39:58 2024

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