Zinc in PDB 7aq1: Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270
Enzymatic activity of Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270
All present enzymatic activity of Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270:
3.4.24.63;
Protein crystallography data
The structure of Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270, PDB code: 7aq1
was solved by
M.Linnert,
C.Parthier,
C.Fritz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.97 /
2.41
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
162.25,
72.44,
135.47,
90,
118.43,
90
|
R / Rfree (%)
|
19.9 /
23.6
|
Other elements in 7aq1:
The structure of Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270 also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270
(pdb code 7aq1). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the
Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270, PDB code: 7aq1:
Jump to Zinc binding site number:
1;
2;
Zinc binding site 1 out
of 2 in 7aq1
Go back to
Zinc Binding Sites List in 7aq1
Zinc binding site 1 out
of 2 in the Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn601
b:40.5
occ:1.00
|
NE2
|
A:HIS152
|
2.1
|
43.4
|
1.0
|
NE2
|
A:HIS162
|
2.2
|
46.3
|
1.0
|
O04
|
A:RUE605
|
2.2
|
50.7
|
0.5
|
NE2
|
A:HIS156
|
2.2
|
36.5
|
1.0
|
O01
|
A:RUE605
|
2.2
|
42.5
|
0.5
|
O01
|
A:RUE605
|
2.2
|
47.2
|
0.5
|
O04
|
A:RUE605
|
2.3
|
50.2
|
0.5
|
H011
|
A:RUE605
|
2.7
|
51.1
|
0.5
|
H011
|
A:RUE605
|
2.9
|
56.7
|
0.5
|
C03
|
A:RUE605
|
2.9
|
51.5
|
0.5
|
CD2
|
A:HIS156
|
3.0
|
33.7
|
1.0
|
HD2
|
A:HIS156
|
3.0
|
39.8
|
1.0
|
N02
|
A:RUE605
|
3.0
|
49.0
|
0.5
|
C03
|
A:RUE605
|
3.0
|
51.1
|
0.5
|
N02
|
A:RUE605
|
3.0
|
49.2
|
0.5
|
CE1
|
A:HIS162
|
3.1
|
44.2
|
1.0
|
CE1
|
A:HIS152
|
3.1
|
41.6
|
1.0
|
CD2
|
A:HIS162
|
3.1
|
45.4
|
1.0
|
CD2
|
A:HIS152
|
3.1
|
40.6
|
1.0
|
HE1
|
A:HIS162
|
3.3
|
52.7
|
1.0
|
HE1
|
A:HIS152
|
3.3
|
48.2
|
1.0
|
HD2
|
A:HIS152
|
3.3
|
46.4
|
1.0
|
HD2
|
A:HIS162
|
3.3
|
54.8
|
1.0
|
CE1
|
A:HIS156
|
3.3
|
37.0
|
1.0
|
HE1
|
A:HIS156
|
3.7
|
43.9
|
1.0
|
H021
|
A:RUE605
|
3.8
|
58.8
|
0.5
|
H021
|
A:RUE605
|
3.8
|
59.1
|
0.5
|
HE1
|
A:TYR211
|
4.0
|
62.8
|
1.0
|
O
|
A:HOH723
|
4.1
|
38.9
|
1.0
|
ND1
|
A:HIS162
|
4.2
|
42.8
|
1.0
|
CG
|
A:HIS156
|
4.2
|
33.6
|
1.0
|
OE2
|
A:GLU153
|
4.2
|
48.0
|
1.0
|
HE1
|
A:MET209
|
4.2
|
49.9
|
1.0
|
ND1
|
A:HIS152
|
4.2
|
43.5
|
1.0
|
CG
|
A:HIS162
|
4.2
|
37.4
|
1.0
|
CG
|
A:HIS152
|
4.3
|
41.4
|
1.0
|
ND1
|
A:HIS156
|
4.3
|
37.4
|
1.0
|
HE3
|
A:MET209
|
4.4
|
49.9
|
1.0
|
C05
|
A:RUE605
|
4.4
|
52.6
|
0.5
|
C05
|
A:RUE605
|
4.5
|
51.7
|
0.5
|
O
|
A:HOH882
|
4.5
|
30.0
|
1.0
|
OE1
|
A:GLU153
|
4.6
|
35.8
|
1.0
|
H051
|
A:RUE605
|
4.6
|
63.2
|
0.5
|
H071
|
A:RUE605
|
4.6
|
71.9
|
0.5
|
H071
|
A:RUE605
|
4.6
|
71.9
|
0.5
|
H052
|
A:RUE605
|
4.7
|
62.1
|
0.5
|
CD
|
A:GLU153
|
4.8
|
45.5
|
1.0
|
CE
|
A:MET209
|
4.8
|
43.8
|
1.0
|
H052
|
A:RUE605
|
4.9
|
63.2
|
0.5
|
CE1
|
A:TYR211
|
4.9
|
59.2
|
1.0
|
HD1
|
A:HIS162
|
5.0
|
51.1
|
1.0
|
H051
|
A:RUE605
|
5.0
|
62.1
|
0.5
|
|
Zinc binding site 2 out
of 2 in 7aq1
Go back to
Zinc Binding Sites List in 7aq1
Zinc binding site 2 out
of 2 in the Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Human Mature Meprin Beta in Complex with the Specific Inhibitor Mwt-S-270 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn601
b:43.7
occ:1.00
|
O04
|
B:RUE604
|
2.0
|
53.7
|
0.8
|
NE2
|
B:HIS162
|
2.1
|
50.3
|
1.0
|
NE2
|
B:HIS152
|
2.2
|
41.0
|
1.0
|
NE2
|
B:HIS156
|
2.2
|
48.8
|
1.0
|
O01
|
B:RUE604
|
2.3
|
46.6
|
0.8
|
H011
|
B:RUE604
|
2.7
|
55.9
|
0.8
|
C03
|
B:RUE604
|
2.9
|
55.4
|
0.8
|
CD2
|
B:HIS156
|
2.9
|
41.7
|
1.0
|
HD2
|
B:HIS156
|
2.9
|
45.8
|
1.0
|
N02
|
B:RUE604
|
3.0
|
47.5
|
0.8
|
CD2
|
B:HIS162
|
3.0
|
55.0
|
1.0
|
CE1
|
B:HIS162
|
3.1
|
52.3
|
1.0
|
CE1
|
B:HIS152
|
3.1
|
43.5
|
1.0
|
CD2
|
B:HIS152
|
3.2
|
40.6
|
1.0
|
HD2
|
B:HIS162
|
3.2
|
66.6
|
1.0
|
HE1
|
B:HIS162
|
3.3
|
62.0
|
1.0
|
HE1
|
B:HIS152
|
3.3
|
49.6
|
1.0
|
HD2
|
B:HIS152
|
3.3
|
45.9
|
1.0
|
CE1
|
B:HIS156
|
3.4
|
49.0
|
1.0
|
HE1
|
B:HIS156
|
3.7
|
54.5
|
1.0
|
O
|
B:HOH721
|
3.7
|
47.5
|
1.0
|
H021
|
B:RUE604
|
3.9
|
57.0
|
0.8
|
HE1
|
B:TYR211
|
3.9
|
68.4
|
1.0
|
H071
|
B:RUE604
|
4.0
|
78.0
|
0.8
|
OE2
|
B:GLU153
|
4.0
|
49.4
|
1.0
|
ND1
|
B:HIS162
|
4.2
|
54.9
|
1.0
|
CG
|
B:HIS162
|
4.2
|
53.5
|
1.0
|
CG
|
B:HIS156
|
4.2
|
39.6
|
1.0
|
ND1
|
B:HIS152
|
4.2
|
47.2
|
1.0
|
CG
|
B:HIS152
|
4.3
|
42.5
|
1.0
|
C05
|
B:RUE604
|
4.3
|
54.0
|
0.8
|
HE1
|
B:MET209
|
4.3
|
46.3
|
1.0
|
ND1
|
B:HIS156
|
4.4
|
42.9
|
1.0
|
HE3
|
B:MET209
|
4.5
|
46.3
|
1.0
|
OE1
|
B:GLU153
|
4.6
|
44.2
|
1.0
|
H052
|
B:RUE604
|
4.6
|
64.8
|
0.8
|
CD
|
B:GLU153
|
4.6
|
47.4
|
1.0
|
N06
|
B:RUE604
|
4.8
|
63.9
|
0.8
|
C07
|
B:RUE604
|
4.8
|
65.0
|
0.8
|
CE1
|
B:TYR211
|
4.8
|
59.8
|
1.0
|
CE
|
B:MET209
|
4.9
|
39.5
|
1.0
|
H051
|
B:RUE604
|
4.9
|
64.8
|
0.8
|
HD1
|
B:HIS162
|
4.9
|
65.2
|
1.0
|
|
Reference:
M.Linnert,
C.Fritz,
C.Jager,
D.Schlenzig,
D.Ramsbeck,
M.Kleinschmidt,
M.Wermann,
H.-U.Demuth,
S.Schilling.
Structure and Dynamics of Meprin Beta in Complex with A Hydroxamate-Based Inhibitor Preprints 2021.
DOI: 10.20944/PREPRINTS202102.0520.V1
Page generated: Sat Apr 3 18:31:26 2021
|