Chlorine in PDB 6qig: Metalloproteinase

Enzymatic activity of Metalloproteinase

All present enzymatic activity of Metalloproteinase:
3.4.24.87;

Protein crystallography data

The structure of Metalloproteinase, PDB code: 6qig was solved by H.J.Kim, J.Emsley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.20 / 2.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 87.532, 87.532, 407.342, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 24.7

Other elements in 6qig:

The structure of Metalloproteinase also contains other interesting chemical elements:

Calcium (Ca) 3 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Metalloproteinase (pdb code 6qig). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Metalloproteinase, PDB code: 6qig:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6qig

Go back to Chlorine Binding Sites List in 6qig
Chlorine binding site 1 out of 5 in the Metalloproteinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Metalloproteinase within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl301

b:81.1
occ:1.00
CE2 L:TRP163 3.6 59.0 1.0
CZ2 L:TRP163 3.6 55.6 1.0
CD2 L:TRP163 3.8 55.0 1.0
CH2 L:TRP163 3.9 61.1 1.0
CE3 L:TRP163 4.0 56.0 1.0
NE1 L:TRP163 4.1 63.3 1.0
CZ3 L:TRP163 4.1 59.3 1.0
CG L:TRP163 4.4 52.0 1.0
CD1 L:TRP163 4.5 57.7 1.0

Chlorine binding site 2 out of 5 in 6qig

Go back to Chlorine Binding Sites List in 6qig
Chlorine binding site 2 out of 5 in the Metalloproteinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Metalloproteinase within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:60.4
occ:1.00
OG L:SER122 3.2 27.9 1.0
CG L:GLU123 3.7 38.1 1.0
N L:GLU123 4.1 29.3 1.0
CA L:GLU123 4.1 32.7 1.0
CB L:SER122 4.3 27.6 1.0
C L:SER122 4.3 29.2 1.0
CD L:GLU123 4.4 40.2 1.0
OG1 L:THR126 4.4 36.7 1.0
CB L:GLU123 4.5 34.7 1.0
O L:SER122 4.6 29.1 1.0
CB L:THR126 4.8 35.2 1.0
OE1 L:GLU123 4.9 35.7 1.0
CA L:SER122 4.9 28.8 1.0

Chlorine binding site 3 out of 5 in 6qig

Go back to Chlorine Binding Sites List in 6qig
Chlorine binding site 3 out of 5 in the Metalloproteinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Metalloproteinase within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:79.6
occ:1.00
NZ H:LYS19 3.5 78.6 1.0
CD H:LYS19 3.6 66.4 1.0
O H:HOH409 3.9 32.8 1.0
CE H:LYS19 4.2 76.8 1.0
CE1 H:TYR80 4.3 48.2 1.0
CZ H:TYR80 4.8 51.9 1.0
CD1 H:TYR80 4.9 40.3 1.0
CG H:LYS19 4.9 58.5 1.0
OH H:TYR80 4.9 56.7 1.0

Chlorine binding site 4 out of 5 in 6qig

Go back to Chlorine Binding Sites List in 6qig
Chlorine binding site 4 out of 5 in the Metalloproteinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Metalloproteinase within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl303

b:86.9
occ:1.00
OD1 H:ASP62 2.7 68.2 1.0
OD2 L:ASP1 3.4 0.8 1.0
NZ H:LYS65 3.6 75.7 1.0
CG H:ASP62 3.6 67.0 1.0
OD2 H:ASP62 3.9 75.8 1.0
OD1 L:ASP1 3.9 76.0 1.0
CG L:ASP1 4.1 91.5 1.0
CB H:ASP62 5.0 57.5 1.0

Chlorine binding site 5 out of 5 in 6qig

Go back to Chlorine Binding Sites List in 6qig
Chlorine binding site 5 out of 5 in the Metalloproteinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Metalloproteinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl720

b:65.2
occ:1.00
O A:THR214 2.6 55.7 1.0
C A:THR214 3.9 57.9 1.0
O A:ALA314 4.5 93.4 1.0
OD1 A:ASP217 4.5 79.9 1.0
O A:VAL313 4.6 90.0 1.0
CA A:ALA314 4.6 75.3 1.0
N A:GLY215 4.7 58.5 1.0
CA A:GLY215 4.7 59.6 1.0
CA A:THR214 4.8 58.1 1.0
CB A:THR214 5.0 60.1 1.0

Reference:

A.Petri, H.J.Kim, Y.Xu, R.De Groot, C.Li, A.Vandenbulcke, K.Vanhoorelbeke, J.Emsley, J.T.B.Crawley. Crystal Structure and Substrate-Induced Activation of ADAMTS13. Nat Commun V. 10 3781 2019.
ISSN: ESSN 2041-1723
PubMed: 31439947
DOI: 10.1038/S41467-019-11474-5
Page generated: Sat Dec 12 13:33:44 2020

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