Zinc in PDB 7uai: Meprin Alpha Helix in Complex with Fetuin-B

All present enzymatic activity of Meprin Alpha Helix in Complex with Fetuin-B:
3.4.24.18;

The structure of Meprin Alpha Helix in Complex with Fetuin-B also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Zinc atom in the Meprin Alpha Helix in Complex with Fetuin-B (pdb code 7uai). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Meprin Alpha Helix in Complex with Fetuin-B, PDB code: 7uai:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn702 b:214.2 occ:1.00 NE2 E:HIS165 1.8 218.6 1.0 NE2 E:HIS155 1.8 184.4 1.0 NE2 E:HIS159 2.7 193.1 1.0 CE1 E:HIS165 2.8 218.6 1.0 CD2 E:HIS155 2.8 184.4 1.0 CD2 E:HIS165 2.9 218.6 1.0 CE1 E:HIS155 2.9 184.4 1.0 CD2 E:HIS159 3.3 193.1 1.0 CE1 E:HIS159 3.5 193.1 1.0 OE2 E:GLU156 3.5 176.1 1.0 ND1 E:HIS165 4.0 218.6 1.0 CG E:HIS155 4.0 184.4 1.0 CG E:HIS165 4.0 218.6 1.0 ND1 E:HIS155 4.0 184.4 1.0 CG E:HIS159 4.3 193.1 1.0 CD E:GLU156 4.4 176.1 1.0 ND1 E:HIS159 4.4 193.1 1.0 OE1 E:GLU156 4.5 176.1 1.0 CE1 E:TYR214 4.6 231.9 1.0 OH E:TYR214 4.8 231.9 1.0

Zinc binding site 2 out of 4 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:102.5 occ:1.00 OD2 A:ASP153 1.7 108.1 1.0 NE2 D:HIS165 2.0 87.0 1.0 NE2 D:HIS155 2.0 82.0 1.0 NE2 D:HIS159 2.1 82.1 1.0 CG A:ASP153 2.3 108.1 1.0 OD1 A:ASP153 2.3 108.1 1.0 CD2 D:HIS159 2.9 82.1 1.0 CD2 D:HIS155 2.9 82.0 1.0 CE1 D:HIS165 2.9 87.0 1.0 CD2 D:HIS165 3.0 87.0 1.0 CE1 D:HIS159 3.1 82.1 1.0 CE1 D:HIS155 3.1 82.0 1.0 OE2 D:GLU156 3.7 84.1 1.0 CB A:ASP153 3.8 108.1 1.0 CG D:HIS159 4.0 82.1 1.0 ND1 D:HIS165 4.1 87.0 1.0 ND1 D:HIS159 4.1 82.1 1.0 CG D:HIS155 4.1 82.0 1.0 CG D:HIS165 4.1 87.0 1.0 ND1 D:HIS155 4.1 82.0 1.0 CB A:PRO152 4.3 108.5 1.0 N A:ASP153 4.4 108.1 1.0 CD D:GLU156 4.5 84.1 1.0 CA A:ASP153 4.5 108.1 1.0 OE1 D:GLU156 4.7 84.1 1.0 CG1 A:VAL200 4.8 115.1 1.0 C A:PRO152 4.8 108.5 1.0 CG A:PRO152 4.9 108.5 1.0

Zinc binding site 3 out of 4 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn702 b:102.5 occ:1.00 NE2 B:HIS165 1.8 84.4 1.0 NE2 B:HIS155 1.9 82.0 1.0 NE2 B:HIS159 2.5 80.6 1.0 CE1 B:HIS165 2.7 84.4 1.0 CD2 B:HIS155 2.9 82.0 1.0 CE1 B:HIS155 2.9 82.0 1.0 CD2 B:HIS165 3.0 84.4 1.0 CD2 B:HIS159 3.3 80.6 1.0 CE1 B:HIS159 3.3 80.6 1.0 CB H:ASP153 3.6 124.0 1.0 OE2 B:GLU156 3.8 85.1 1.0 ND1 B:HIS165 3.9 84.4 1.0 CG B:HIS165 4.0 84.4 1.0 CG B:HIS155 4.0 82.0 1.0 ND1 B:HIS155 4.1 82.0 1.0 OH B:TYR214 4.2 89.1 1.0 CG B:HIS159 4.2 80.6 1.0 ND1 B:HIS159 4.3 80.6 1.0 CE1 B:TYR214 4.3 89.1 1.0 N H:ASP153 4.4 124.0 1.0 CA H:ASP153 4.4 124.0 1.0 CG2 H:VAL200 4.6 119.7 1.0 CZ B:TYR214 4.7 89.1 1.0 CD B:GLU156 4.7 85.1 1.0 CB H:PRO152 4.8 117.8 1.0 C H:PRO152 4.9 117.8 1.0 OE1 B:GLU156 5.0 85.1 1.0

Zinc binding site 4 out of 4 in the Meprin Alpha Helix in Complex with Fetuin-B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Meprin Alpha Helix in Complex with Fetuin-B within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn702 b:103.0 occ:1.00 NE2 C:HIS165 1.8 94.0 1.0 NE2 C:HIS159 1.8 85.0 1.0 NE2 C:HIS155 1.8 87.9 1.0 CD2 C:HIS165 2.6 94.0 1.0 CE1 C:HIS165 2.7 94.0 1.0 CD2 C:HIS155 2.7 87.9 1.0 CE1 C:HIS159 2.8 85.0 1.0 CD2 C:HIS159 2.8 85.0 1.0 CE1 C:HIS155 2.9 87.9 1.0 CG C:HIS165 3.7 94.0 1.0 ND1 C:HIS165 3.7 94.0 1.0 ND1 C:HIS159 3.9 85.0 1.0 CG C:HIS155 3.9 87.9 1.0 CG C:HIS159 3.9 85.0 1.0 ND1 C:HIS155 4.0 87.9 1.0 OE2 C:GLU156 4.4 86.7 1.0 CE C:MET212 4.6 91.4 1.0 OE1 C:GLU156 4.8 86.7 1.0 CE1 C:TYR214 4.9 101.7 1.0

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