Atomistry » Fluorine » PDB 8jop-8kcs » 8jud
Atomistry »
  Fluorine »
    PDB 8jop-8kcs »
      8jud »

Fluorine in PDB 8jud: Crystal Structure of Human Mmp-7 in Complex with Inhibitor

Enzymatic activity of 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;

Protein crystallography data

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

Resolution Low / High (Å) 54.69 / 1.50
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 77.35, 77.35, 62.37, 90, 90, 90
R / Rfree (%) 23.1 / 26

Other elements in 8jud:

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

Chlorine (Cl) 1 atom
Calcium (Ca) 2 atoms
Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor (pdb code 8jud). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor, PDB code: 8jud:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8jud

Go back to Fluorine Binding Sites List in 8jud
Fluorine binding site 1 out of 3 in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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:F1

b:21.9
occ:1.00
F47 B:7SF1 0.0 21.9 1.0
C44 B:7SF1 1.3 23.7 1.0
F46 B:7SF1 2.1 26.7 1.0
F45 B:7SF1 2.2 21.0 1.0
C42 B:7SF1 2.4 21.2 1.0
C40 B:7SF1 3.0 21.3 1.0
CL1 B:7SF1 3.1 26.1 1.0
C43 B:7SF1 3.5 20.9 1.0
CB A:ALA211 3.5 15.0 1.0
CD2 A:TYR236 3.6 28.6 1.0
CA A:ALA211 3.8 15.0 1.0
CG2 A:ILE206 4.2 17.6 1.0
CG A:TYR236 4.3 26.0 1.0
CE2 A:TYR236 4.3 25.0 1.0
CB A:TYR236 4.3 26.8 1.0
C39 B:7SF1 4.4 19.6 1.0
CD1 A:LEU176 4.4 18.1 1.0
N A:ALA211 4.6 16.6 1.0
C37 B:7SF1 4.7 19.1 1.0
C A:ALA211 4.9 14.1 1.0

Fluorine binding site 2 out of 3 in 8jud

Go back to Fluorine Binding Sites List in 8jud
Fluorine binding site 2 out of 3 in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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
B:F1

b:26.7
occ:1.00
F46 B:7SF1 0.0 26.7 1.0
C44 B:7SF1 1.3 23.7 1.0
F47 B:7SF1 2.1 21.9 1.0
F45 B:7SF1 2.1 21.0 1.0
C42 B:7SF1 2.3 21.2 1.0
C43 B:7SF1 2.7 20.9 1.0
C40 B:7SF1 3.6 21.3 1.0
CB A:ALA177 3.7 15.2 1.0
NE2 A:GLN215 3.7 16.9 1.0
CB A:LEU176 3.8 17.6 1.0
CB A:ALA211 3.9 15.0 1.0
C37 B:7SF1 4.1 19.1 1.0
CD1 A:LEU176 4.3 18.1 1.0
CH2 A:TRP198 4.3 14.6 1.0
CL1 B:7SF1 4.5 26.1 1.0
CA A:ALA211 4.5 15.0 1.0
N A:ALA177 4.5 15.3 1.0
C A:LEU176 4.6 14.5 1.0
CZ3 A:TRP198 4.6 15.3 1.0
CA A:ALA177 4.7 14.9 1.0
CG A:LEU176 4.7 18.1 1.0
CD A:GLN215 4.7 15.2 1.0
C39 B:7SF1 4.7 19.6 1.0
O1 B:7SF1 4.8 17.7 1.0
CA A:LEU176 4.9 15.6 1.0
CG A:GLN215 4.9 13.6 1.0
O A:LEU176 4.9 15.3 1.0
O A:ALA211 4.9 13.3 1.0
C38 B:7SF1 4.9 21.0 1.0

Fluorine binding site 3 out of 3 in 8jud

Go back to Fluorine Binding Sites List in 8jud
Fluorine binding site 3 out of 3 in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Mmp-7 in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1

b:21.0
occ:1.00
F45 B:7SF1 0.0 21.0 1.0
C44 B:7SF1 1.3 23.7 1.0
F46 B:7SF1 2.1 26.7 1.0
F47 B:7SF1 2.2 21.9 1.0
C42 B:7SF1 2.3 21.2 1.0
C40 B:7SF1 3.0 21.3 1.0
CL1 B:7SF1 3.2 26.1 1.0
NE2 A:GLN215 3.2 16.9 1.0
CA A:ALA211 3.3 15.0 1.0
C43 B:7SF1 3.4 20.9 1.0
O A:ALA211 3.4 13.3 1.0
CB A:ALA211 3.5 15.0 1.0
C A:ALA211 3.8 14.1 1.0
CB A:HIS214 3.9 14.0 1.0
CD2 A:HIS214 4.1 13.5 1.0
CG A:GLN215 4.1 13.6 1.0
CD A:GLN215 4.1 15.2 1.0
CG A:HIS214 4.1 14.8 1.0
C39 B:7SF1 4.3 19.6 1.0
N A:ALA211 4.5 16.6 1.0
C37 B:7SF1 4.6 19.1 1.0
N A:GLN215 4.8 13.1 1.0
CB A:ALA177 4.9 15.2 1.0
OXT B:GGL2 4.9 20.6 1.0
O A:TYR210 4.9 13.9 1.0
C38 B:7SF1 4.9 21.0 1.0
NE2 A:HIS214 5.0 17.4 1.0

Reference:

K.Abe-Sato, H.Tabuse, H.Kanazawa, M.Kamitani, M.Endo, S.Tokura, S.Wakabayashi, T.Yahara, T.Takeda, K.Hitaka, E.Gunji, N.Kojima, Y.Oka. Structure-Based Optimization and Biological Evaluation of Potent and Selective Mmp-7 Inhibitors For Kidney Fibrosis. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 37861435
DOI: 10.1021/ACS.JMEDCHEM.3C01166
Page generated: Wed Jul 16 05:51:40 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy