Atomistry » Zinc » PDB 7txc-7uba » 7uaf
Atomistry »
  Zinc »
    PDB 7txc-7uba »
      7uaf »

Zinc in PDB 7uaf: Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide)

Enzymatic activity of Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide)

All present enzymatic activity of Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide):
3.4.24.18;

Other elements in 7uaf:

The structure of Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide) also contains other interesting chemical elements:

Calcium (Ca) 8 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide) (pdb code 7uaf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide), PDB code: 7uaf:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 7uaf

Go back to Zinc Binding Sites List in 7uaf
Zinc binding site 1 out of 4 in the Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn703

b:44.1
occ:1.00
NE2 B:HIS165 1.8 32.5 1.0
NE2 B:HIS155 1.9 32.5 1.0
NE2 B:HIS159 1.9 30.6 1.0
O6 B:M6X701 2.4 43.1 1.0
CD2 B:HIS165 2.8 32.5 1.0
CD2 B:HIS155 2.8 32.5 1.0
CE1 B:HIS159 2.9 30.6 1.0
CE1 B:HIS165 2.9 32.5 1.0
CE1 B:HIS155 3.0 32.5 1.0
CD2 B:HIS159 3.0 30.6 1.0
N2 B:M6X701 3.6 43.1 1.0
O3 B:M6X701 3.8 43.1 1.0
CG B:HIS165 3.9 32.5 1.0
CG B:HIS155 4.0 32.5 1.0
C13 B:M6X701 4.0 43.1 1.0
ND1 B:HIS165 4.0 32.5 1.0
ND1 B:HIS155 4.0 32.5 1.0
ND1 B:HIS159 4.0 30.6 1.0
CG B:HIS159 4.1 30.6 1.0
OE2 B:GLU156 4.3 32.2 1.0
OH B:TYR214 4.3 34.9 1.0
CE1 B:TYR214 4.5 34.9 1.0
OE1 B:GLU156 4.8 32.2 1.0
C8 B:M6X701 4.8 43.1 1.0
CZ B:TYR214 4.8 34.9 1.0
CD B:GLU156 4.9 32.2 1.0
CE B:MET212 4.9 32.1 1.0

Zinc binding site 2 out of 4 in 7uaf

Go back to Zinc Binding Sites List in 7uaf
Zinc binding site 2 out of 4 in the Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn703

b:47.8
occ:1.00
NE2 A:HIS165 1.9 32.9 1.0
NE2 A:HIS155 1.9 32.8 1.0
NE2 A:HIS159 1.9 31.0 1.0
O6 A:M6X701 2.5 43.7 1.0
CE1 A:HIS159 2.8 31.0 1.0
CD2 A:HIS165 2.9 32.9 1.0
CD2 A:HIS155 2.9 32.8 1.0
CE1 A:HIS155 2.9 32.8 1.0
CE1 A:HIS165 2.9 32.9 1.0
CD2 A:HIS159 3.0 31.0 1.0
N2 A:M6X701 3.7 43.7 1.0
O3 A:M6X701 3.8 43.7 1.0
ND1 A:HIS155 4.0 32.8 1.0
ND1 A:HIS159 4.0 31.0 1.0
CG A:HIS155 4.0 32.8 1.0
CG A:HIS165 4.0 32.9 1.0
ND1 A:HIS165 4.0 32.9 1.0
C13 A:M6X701 4.1 43.7 1.0
CG A:HIS159 4.1 31.0 1.0
OH A:TYR214 4.3 35.2 1.0
CE1 A:TYR214 4.4 35.2 1.0
OE2 A:GLU156 4.4 33.0 1.0
CZ A:TYR214 4.8 35.2 1.0
CE A:MET212 4.9 33.4 1.0
C8 A:M6X701 4.9 43.7 1.0
OE1 A:GLU156 4.9 33.0 1.0

Zinc binding site 3 out of 4 in 7uaf

Go back to Zinc Binding Sites List in 7uaf
Zinc binding site 3 out of 4 in the Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn703

b:63.0
occ:1.00
NE2 C:HIS165 1.8 56.6 1.0
NE2 C:HIS155 1.9 49.6 1.0
NE2 C:HIS159 2.0 49.1 1.0
CD2 C:HIS165 2.7 56.6 1.0
CD2 C:HIS155 2.8 49.6 1.0
CE1 C:HIS159 2.9 49.1 1.0
CE1 C:HIS165 2.9 56.6 1.0
CE1 C:HIS155 3.0 49.6 1.0
O6 C:M6X701 3.0 59.0 1.0
CD2 C:HIS159 3.1 49.1 1.0
CG C:HIS165 3.8 56.6 1.0
ND1 C:HIS165 3.9 56.6 1.0
CG C:HIS155 4.0 49.6 1.0
ND1 C:HIS155 4.0 49.6 1.0
ND1 C:HIS159 4.1 49.1 1.0
O3 C:M6X701 4.1 59.0 1.0
N2 C:M6X701 4.2 59.0 1.0
CG C:HIS159 4.2 49.1 1.0
CE1 C:TYR214 4.2 58.3 1.0
OH C:TYR214 4.3 58.3 1.0
OE2 C:GLU156 4.5 49.3 1.0
C13 C:M6X701 4.5 59.0 1.0
CZ C:TYR214 4.7 58.3 1.0
OE1 C:GLU156 4.9 49.3 1.0

Zinc binding site 4 out of 4 in 7uaf

Go back to Zinc Binding Sites List in 7uaf
Zinc binding site 4 out of 4 in the Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Human Meprin Alpha Inhibitory Complex with Compound 10D (N~3~,N~3~- Bis[(2H-1,3-Benzodioxol-5-Yl)Methyl]-N-Hydroxy-Beta-Alaninamide) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn703

b:53.0
occ:1.00
NE2 D:HIS165 1.8 49.7 1.0
NE2 D:HIS155 1.9 43.2 1.0
NE2 D:HIS159 2.0 42.7 1.0
CD2 D:HIS165 2.8 49.7 1.0
CE1 D:HIS165 2.9 49.7 1.0
CD2 D:HIS155 2.9 43.2 1.0
CE1 D:HIS159 2.9 42.7 1.0
CE1 D:HIS155 2.9 43.2 1.0
CD2 D:HIS159 3.2 42.7 1.0
CG D:HIS165 3.9 49.7 1.0
ND1 D:HIS165 4.0 49.7 1.0
ND1 D:HIS155 4.0 43.2 1.0
CG D:HIS155 4.1 43.2 1.0
ND1 D:HIS159 4.1 42.7 1.0
CG D:HIS159 4.2 42.7 1.0
CE1 D:TYR214 4.3 52.5 1.0
OH D:TYR214 4.5 52.5 1.0
OE2 D:GLU156 4.6 44.0 1.0
CE D:MET212 4.8 49.0 1.0
CZ D:TYR214 4.9 52.5 1.0
OE1 D:GLU156 5.0 44.0 1.0

Reference:

C.Bayly-Jones, C.J.Lupton, C.Fritz, H.Venugopal, D.Ramsbeck, M.Wermann, C.Jager, A.De Marco, S.Schilling, D.Schlenzig, J.C.Whisstock. Helical Ultrastructure of the Metalloprotease Meprin Alpha in Complex with A Small Molecule Inhibitor. Nat Commun V. 13 6178 2022.
ISSN: ESSN 2041-1723
PubMed: 36261433
DOI: 10.1038/S41467-022-33893-7
Page generated: Wed Oct 30 11:57:16 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy