Chlorine in PDB 8k4z: Crystal Structure of Human Mmp-7 in Complex with Inhibitor

All present enzymatic activity of Crystal Structure of Human Mmp-7 in Complex with Inhibitor:
3.4.24.23;

The structure of Crystal Structure of Human Mmp-7 in Complex with Inhibitor, PDB code: 8k4z was solved by M.Kamitani, M.Mima, Y.Oka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.60 / 1.70
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	75.799, 75.799, 60.53, 90, 90, 90
R / Rfree (%)	20.3 / 23.9

The structure of Crystal Structure of Human Mmp-7 in Complex with Inhibitor also contains other interesting chemical elements:

Iodine	(I)	1 atom
Calcium	(Ca)	2 atoms
Fluorine	(F)	3 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor (pdb code 8k4z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor, PDB code: 8k4z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Mmp-7 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:18.2 occ:1.00 CL1 B:7SF1 0.0 18.2 1.0 C40 B:7SF1 1.8 14.8 1.0 C39 B:7SF1 2.8 14.4 1.0 C42 B:7SF1 2.8 14.2 1.0 F47 B:7SF1 3.0 15.4 1.0 F46 B:7SF1 3.1 16.9 1.0 C44 B:7SF1 3.1 15.0 1.0 CG A:HIS214 3.5 9.8 1.0 ND1 A:HIS214 3.6 10.1 1.0 CB A:HIS214 3.7 9.7 1.0 CE1 A:TYR210 3.8 16.9 1.0 CA A:TYR236 3.9 21.2 1.0 CD2 A:HIS214 4.0 10.1 1.0 O A:HOH413 4.1 20.3 1.0 C43 B:7SF1 4.1 13.0 1.0 C38 B:7SF1 4.1 13.6 1.0 CE1 A:HIS214 4.1 10.2 1.0 CD1 A:TYR210 4.2 15.6 1.0 CB A:TYR236 4.3 18.7 1.0 CD1 A:TYR236 4.3 17.0 1.0 N A:TYR236 4.3 21.1 1.0 NE2 A:HIS214 4.3 10.0 1.0 F45 B:7SF1 4.4 16.1 1.0 C A:THR235 4.6 22.3 1.0 O A:THR235 4.6 24.6 1.0 C37 B:7SF1 4.6 13.1 1.0 CG A:TYR236 4.8 17.6 1.0 O A:VAL231 4.8 12.4 1.0 O A:TYR233 4.9 12.6 1.0 CA A:ALA211 4.9 10.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Mmp-7 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:34.5 occ:1.00 N A:GLN248 3.5 22.7 1.0 CB A:SER247 3.8 17.4 1.0 CG A:GLN248 4.0 33.4 1.0 CA A:SER247 4.1 18.8 1.0 CB A:GLN248 4.2 29.9 1.0 C A:SER247 4.3 20.6 1.0 CB A:ASN229 4.5 24.9 1.0 CA A:GLN248 4.5 25.6 1.0 OG A:SER247 4.7 16.1 1.0 OD1 A:ASN229 4.7 32.8 1.0 CG A:ASN229 4.8 29.0 1.0

Y.Oka, K.Abe-Sato, H.Tabuse, Y.Yasukawa, T.Yahara, T.Nishimoto, M.Kamitani, T.Fukunaga, N.Ochiai, T.Kumasaka-Abe, K.Hitaka, E.Gunji, H.Ohara, T.Takeda, N.Kojima, T.Asami. Discovery of TP0628103: A Selective Mmp-7 Inhibitor Based on the Mitigation of Oatp Substrate Recognition Through Isoelectric Point Shift Strategy To Be Published.