Calcium 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:

Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total 3 binding sites of Calcium 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 Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 7s7m

Go back to Calcium Binding Sites List in 7s7m
Calcium binding site 1 out of 3 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 Calcium with other atoms in the Ca 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:Ca301

b:58.6
occ:1.00
 O A:GLY173 2.2 58.1 1.0
O A:ASN175 2.4 74.7 1.0
O A:HOH405 2.5 42.3 1.0
OD1 A:ASP177 2.5 74.8 1.0
O A:HOH401 2.5 28.0 1.0
O A:ASP141 2.5 65.3 1.0
C A:ASN175 3.3 63.7 1.0
C A:GLY173 3.4 60.1 1.0
CG A:ASP177 3.5 71.3 1.0
C A:ASP141 3.7 73.1 1.0
C A:ILE174 3.8 68.9 1.0
OD2 A:ASP177 3.9 77.3 1.0
N A:ASN175 3.9 64.1 1.0
N A:ASP177 4.1 66.6 1.0
O A:ILE174 4.1 74.8 1.0
N A:GLY176 4.1 56.2 1.0
C A:GLY176 4.1 60.8 1.0
CA A:GLY176 4.1 47.6 1.0
CA A:ASN175 4.2 59.1 1.0
CA A:ILE174 4.3 59.7 1.0
N A:ILE174 4.3 61.2 1.0
O A:ALA140 4.3 73.7 1.0
N A:GLY173 4.3 66.4 1.0
O A:GLY171 4.4 71.1 1.0
CA A:GLY173 4.4 67.3 1.0
CA A:ASP141 4.5 72.6 1.0
N A:ILE142 4.6 73.0 1.0
CB A:ASP177 4.7 71.5 1.0
CA A:ILE142 4.7 75.1 1.0
CA A:ASP177 4.7 70.4 1.0
C A:PRO172 4.7 66.9 1.0
O A:GLY176 4.8 61.0 1.0
N A:MET143 4.9 70.8 1.0
CH2 A:TRP92 5.0 67.2 1.0

Calcium binding site 2 out of 3 in 7s7m

Go back to Calcium Binding Sites List in 7s7m
Calcium binding site 2 out of 3 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 Calcium with other atoms in the Ca 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:Ca302

b:102.2
occ:1.00
 O A:GLU184 2.2 57.8 1.0
O A:ASP182 2.2 95.9 1.0
OD2 A:ASP107 2.4 101.8 1.0
O A:HOH410 2.5 64.5 1.0
OD1 A:ASP107 2.6 116.2 1.0
OD1 A:ASP182 2.7 79.6 1.0
CG A:ASP107 2.8 111.8 1.0
C A:ASP182 3.4 83.1 1.0
C A:GLU184 3.4 77.0 1.0
CG A:ASP182 3.8 71.6 1.0
CA A:ASP182 4.1 71.4 1.0
N A:GLU184 4.2 87.0 1.0
CA A:GLN185 4.2 98.2 1.0
N A:GLN185 4.2 86.8 1.0
C A:ASP183 4.2 95.7 1.0
CB A:ASP107 4.3 116.5 1.0
N A:ASP183 4.4 85.7 1.0
CA A:GLU184 4.4 82.8 1.0
OG1 A:THR105 4.4 74.0 1.0
CA A:ASP183 4.5 96.0 1.0
CB A:ASP182 4.5 66.2 1.0
CD1 A:TRP186 4.7 73.8 1.0
OD2 A:ASP182 4.7 85.1 1.0
O A:ASP183 4.7 110.1 1.0

Calcium binding site 3 out of 3 in 7s7m

Go back to Calcium Binding Sites List in 7s7m
Calcium binding site 3 out of 3 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 Calcium with other atoms in the Ca binding site number 3 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:Ca303

b:66.6
occ:1.00
 O A:VAL163 2.2 68.1 1.0
O A:GLY159 2.2 70.8 1.0
OD2 A:ASP181 2.3 65.9 1.0
OE2 A:GLU184 2.4 88.0 1.0
O A:GLY161 2.5 71.0 1.0
OD1 A:ASP158 2.5 85.8 1.0
C A:VAL163 3.4 70.7 1.0
CG A:ASP181 3.4 67.1 1.0
C A:GLY159 3.5 78.1 1.0
C A:GLY161 3.5 80.6 1.0
CD A:GLU184 3.6 78.9 1.0
N A:GLY161 3.7 73.2 1.0
CG A:ASP158 3.7 82.8 1.0
N A:VAL163 3.9 71.1 1.0
CB A:ASP181 4.1 60.6 1.0
C A:PRO160 4.1 78.0 1.0
C A:ASP158 4.2 82.9 1.0
CA A:VAL163 4.2 70.1 1.0
CA A:GLY161 4.2 74.4 1.0
N A:GLY159 4.2 74.1 1.0
CA A:PRO160 4.2 78.7 1.0
N A:PRO160 4.3 83.4 1.0
C A:ASN162 4.3 69.2 1.0
O A:ASP158 4.3 89.7 1.0
OD2 A:ASP158 4.4 83.2 1.0
N A:ASP158 4.4 77.9 1.0
OD1 A:ASP181 4.4 69.0 1.0
OE1 A:GLU184 4.4 86.0 1.0
CA A:GLY159 4.4 83.2 1.0
N A:LEU164 4.5 78.0 1.0
N A:ASN162 4.5 83.1 1.0
CG A:GLU184 4.6 64.3 1.0
CA A:ASP158 4.6 82.9 1.0
CA A:LEU164 4.7 77.1 1.0
CB A:VAL163 4.7 54.3 1.0
CB A:ASP158 4.7 86.0 1.0
O A:ASN162 4.7 75.2 1.0
CA A:ASN162 4.8 74.8 1.0
CB A:ASN162 4.9 86.0 1.0
O A:PRO160 5.0 88.5 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: Tue Apr 4 18:38:39 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy