Zinc in PDB 6mav: Complex of Tissue Inhibitor of Metalloproteinase-1 (Timp-1) Mutant L34G with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)

Enzymatic activity of Complex of Tissue Inhibitor of Metalloproteinase-1 (Timp-1) Mutant L34G with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD)

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

Protein crystallography data

The structure of Complex of Tissue Inhibitor of Metalloproteinase-1 (Timp-1) Mutant L34G with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD), PDB code: 6mav was solved by M.Raeeszadeh-Sarmazdeh, E.Radisky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.59 / 2.37
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 69.703, 69.703, 321.326, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 29.8

Other elements in 6mav:

The structure of Complex of Tissue Inhibitor of Metalloproteinase-1 (Timp-1) Mutant L34G 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 Metalloproteinase-1 (Timp-1) Mutant L34G with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) (pdb code 6mav). 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 Metalloproteinase-1 (Timp-1) Mutant L34G with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD), PDB code: 6mav:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6mav

Go back to Zinc Binding Sites List in 6mav
Zinc binding site 1 out of 2 in the Complex of Tissue Inhibitor of Metalloproteinase-1 (Timp-1) Mutant L34G 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 Metalloproteinase-1 (Timp-1) Mutant L34G with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:53.1
occ:1.00
 NE2 A:HIS211 1.9 51.4 1.0
N B:CYS1 2.0 59.3 1.0
NE2 A:HIS201 2.1 75.0 1.0
NE2 A:HIS205 2.2 56.3 1.0
O B:CYS1 2.3 61.8 1.0
CD2 A:HIS211 2.7 59.6 1.0
CA B:CYS1 2.7 58.1 1.0
C B:CYS1 2.8 63.6 1.0
CE1 A:HIS201 2.9 62.9 1.0
CE1 A:HIS211 3.0 73.6 1.0
CD2 A:HIS205 3.1 49.6 1.0
CD2 A:HIS201 3.3 65.2 1.0
CB B:CYS1 3.3 57.3 1.0
CE1 A:HIS205 3.4 51.0 1.0
CG A:HIS211 3.9 64.3 1.0
ND1 A:HIS211 4.0 55.2 1.0
N B:THR2 4.0 65.3 1.0
ND1 A:HIS201 4.1 63.2 1.0
OE1 A:GLU202 4.3 74.0 1.0
CG A:HIS205 4.3 55.2 1.0
CG A:HIS201 4.3 60.3 1.0
ND1 A:HIS205 4.4 56.6 1.0
OE2 A:GLU202 4.5 86.1 1.0
O B:SER68 4.6 62.7 1.0
CB A:PRO221 4.7 61.5 1.0
O B:GLU67 4.7 57.2 1.0
CA B:SER68 4.8 67.7 1.0
CD A:GLU202 4.8 67.1 1.0
SG B:CYS1 4.8 60.6 1.0
CA A:PRO221 4.8 66.8 1.0
CA B:THR2 4.8 58.6 1.0
OG1 B:THR2 4.9 73.2 1.0

Zinc binding site 2 out of 2 in 6mav

Go back to Zinc Binding Sites List in 6mav
Zinc binding site 2 out of 2 in the Complex of Tissue Inhibitor of Metalloproteinase-1 (Timp-1) Mutant L34G 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 Metalloproteinase-1 (Timp-1) Mutant L34G with Matrix Metalloproteinase-3 Catalytic Domain (Mmp-3CD) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn305

b:71.7
occ:1.00
 ND1 A:HIS179 1.9 50.5 1.0
OD2 A:ASP153 2.0 84.2 1.0
NE2 A:HIS151 2.1 61.6 1.0
NE2 A:HIS166 2.1 61.2 1.0
CE1 A:HIS179 2.7 65.0 1.0
CE1 A:HIS166 2.9 71.8 1.0
CG A:ASP153 3.0 80.8 1.0
CD2 A:HIS151 3.0 78.4 1.0
CG A:HIS179 3.1 58.9 1.0
CE1 A:HIS151 3.1 67.9 1.0
CD2 A:HIS166 3.2 56.1 1.0
OD1 A:ASP153 3.3 78.2 1.0
CB A:HIS179 3.6 68.8 1.0
NE2 A:HIS179 3.9 54.6 1.0
CD2 A:HIS179 4.0 59.7 1.0
OH A:TYR168 4.1 80.2 1.0
ND1 A:HIS166 4.1 73.0 1.0
CG A:HIS151 4.1 69.8 1.0
ND1 A:HIS151 4.2 70.0 1.0
O A:TYR155 4.2 62.0 1.0
CG A:HIS166 4.3 54.0 1.0
CB A:ASP153 4.3 63.3 1.0
CE1 A:TYR168 4.5 62.2 1.0
CZ A:PHE157 4.6 76.4 1.0
CE2 A:PHE157 4.6 79.9 1.0
CZ A:TYR168 4.8 58.4 1.0

Reference:

M.Raeeszadeh-Sarmazdeh, K.A.Greene, B.Sankaran, G.P.Downey, D.C.Radisky, E.S.Radisky. Directed Evolution of the Metalloproteinase Inhibitor Timp-1 Reveals That Its N- and C-Terminal Domains Cooperate in Matrix Metalloproteinase Recognition. J.Biol.Chem. V. 294 9476 2019.
ISSN: ESSN 1083-351X
PubMed: 31040180
DOI: 10.1074/JBC.RA119.008321
Page generated: Wed Dec 16 12:19:06 2020

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