Chlorine in PDB 7uah: Macrocyclic Plasmin Inhibitor

All present enzymatic activity of Macrocyclic Plasmin Inhibitor:
3.4.21.7;

The structure of Macrocyclic Plasmin Inhibitor, PDB code: 7uah was solved by W.Guojie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.77 / 1.57
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.843, 50.638, 92.688, 90, 93.2, 90
R / Rfree (%)	17.5 / 19.2

The binding sites of Chlorine atom in the Macrocyclic Plasmin Inhibitor (pdb code 7uah). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Macrocyclic Plasmin Inhibitor, PDB code: 7uah:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Macrocyclic Plasmin Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Macrocyclic Plasmin Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:38.5 occ:1.00 CL55 A:M63801 0.0 38.5 1.0 C54 A:M63801 1.8 24.9 1.0 C56 A:M63801 2.7 24.9 1.0 C53 A:M63801 2.8 32.5 1.0 H561 A:M63801 2.8 29.9 1.0 H531 A:M63801 2.9 39.0 1.0 CG B:ASN625 3.0 79.9 1.0 ND2 B:ASN625 3.0 75.4 1.0 CB B:ASN625 3.1 73.6 1.0 NE2 A:GLN738 3.4 52.0 1.0 OD1 B:ASN625 3.7 79.7 1.0 O B:GLY584 3.8 19.4 1.0 O B:HOH977 3.9 36.1 1.0 CA B:GLY584 4.0 21.0 1.0 C50 A:M63801 4.0 16.1 1.0 C52 A:M63801 4.1 23.3 1.0 CA B:ASN625 4.2 72.6 1.0 C B:GLY584 4.3 19.4 1.0 O B:PHE583 4.3 24.0 1.0 CD A:GLN738 4.4 48.8 1.0 N B:ASN625 4.5 69.9 1.0 C51 A:M63801 4.6 21.5 1.0 H521 A:M63801 4.8 27.9 1.0 NZ B:LYS615 5.0 45.1 1.0

Chlorine binding site 2 out of 2 in the Macrocyclic Plasmin Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Macrocyclic Plasmin Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:39.2 occ:1.00 CL55 B:M63801 0.0 39.2 1.0 C54 B:M63801 1.8 36.0 1.0 C56 B:M63801 2.7 26.1 1.0 H561 B:M63801 2.7 31.3 1.0 C53 B:M63801 2.8 36.4 1.0 H531 B:M63801 2.9 43.7 1.0 SG B:CYS765 3.0 26.8 1.0 H191 B:M63801 3.3 21.4 1.0 H201 B:M63801 3.5 21.8 1.0 CG B:GLN738 3.6 34.7 1.0 C19 B:M63801 3.7 17.8 1.0 C20 B:M63801 3.8 18.1 1.0 NE2 B:GLN738 3.8 43.8 1.0 CD B:GLN738 3.8 40.6 1.0 SG B:CYS737 3.9 28.4 1.0 C50 B:M63801 3.9 28.1 1.0 C B:GLY764 3.9 22.2 1.0 C52 B:M63801 4.0 37.9 1.0 O B:GLY764 4.1 19.1 1.0 CA B:GLY764 4.2 19.6 1.0 N B:CYS765 4.2 18.5 1.0 CB B:CYS765 4.4 23.8 1.0 C51 B:M63801 4.5 32.7 1.0 OE1 B:GLN738 4.6 42.8 1.0 N B:GLN738 4.7 19.1 1.0 H172 B:M63801 4.7 21.3 1.0 C18 B:M63801 4.7 16.3 1.0 N B:GLY764 4.8 18.1 1.0 H521 B:M63801 4.8 45.5 1.0 CA B:CYS765 4.8 20.5 1.0 C21 B:M63801 4.9 17.8 1.0 CB B:GLN738 5.0 30.1 1.0

W.Guojie, W.Guojie. N/A N/A.