Chlorine in PDB 8k5x: Crystal Structure of Human Prommp-9 Catalytic Domain in Complex with Inhibitor

Enzymatic activity of Crystal Structure of Human Prommp-9 Catalytic Domain in Complex with Inhibitor

All present enzymatic activity of Crystal Structure of Human Prommp-9 Catalytic Domain in Complex with Inhibitor:
3.4.24.35;

Protein crystallography data

The structure of Crystal Structure of Human Prommp-9 Catalytic Domain in Complex with Inhibitor, PDB code: 8k5x was solved by M.Kamitani, M.Mima, R.Nishikawa-Shimono, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.01 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.388, 73.176, 76.163, 90, 103.66, 90
R / Rfree (%) 17.3 / 20.6

Other elements in 8k5x:

The structure of Crystal Structure of Human Prommp-9 Catalytic Domain in Complex with Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Prommp-9 Catalytic Domain in Complex with Inhibitor (pdb code 8k5x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Prommp-9 Catalytic Domain in Complex with Inhibitor, PDB code: 8k5x:

Chlorine binding site 1 out of 1 in 8k5x

Go back to Chlorine Binding Sites List in 8k5x
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Prommp-9 Catalytic Domain 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 Prommp-9 Catalytic Domain in Complex with Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl306

b:35.7
occ:1.00
 N B:HIS117 3.5 19.4 1.0
ND1 B:HIS118 3.6 18.0 1.0
CB B:HIS117 3.9 22.6 1.0
CE3 B:TRP116 4.1 12.9 1.0
CE1 B:HIS118 4.1 19.3 1.0
CD2 B:HIS117 4.1 24.7 1.0
CA B:HIS117 4.2 22.3 1.0
CG B:HIS117 4.4 24.6 1.0
CA B:TRP116 4.4 15.6 1.0
C B:TRP116 4.4 17.1 1.0
C B:HIS117 4.4 22.2 1.0
N B:HIS118 4.6 20.5 1.0
CZ3 B:TRP116 4.6 12.8 1.0
CG B:HIS118 4.8 18.4 1.0
O B:HIS117 4.9 25.7 1.0
O B:LYS115 4.9 16.3 1.0

Reference:

R.Nishikawa-Shimono, M.Kuwabara, S.Fujisaki, D.Matsuda, M.Endo, M.Kamitani, A.Futamura, Y.Nomura, T.Yamaguchi-Sasaki, T.Yabuuchi, C.Yamaguchi, N.Tanaka-Yamamoto, S.Satake, K.Abe-Sato, K.Funayama, M.Sakata, S.Takahashi, K.Hirano, T.Fukunaga, Y.Uozumi, S.Kato, Y.Tamura, T.Nakamori, M.Mima, C.Mishima-Tsumagari, D.Nozawa, Y.Imai, T.Asami. Discovery of Novel Indole Derivatives As Potent and Selective Inhibitors of Prommp-9 Activation. Bioorg.Med.Chem.Lett. V. 97 29541 2023.
ISSN: ESSN 1464-3405
PubMed: 37952596
DOI: 10.1016/J.BMCL.2023.129541
Page generated: Tue Jul 30 11:04:10 2024

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