Chlorine in PDB 7wmt: Crystal Structure of Small Molecule 13 Bound to Human Nicotinamide N- Methyltransferase

All present enzymatic activity of Crystal Structure of Small Molecule 13 Bound to Human Nicotinamide N- Methyltransferase:
2.1.1.1;

The structure of Crystal Structure of Small Molecule 13 Bound to Human Nicotinamide N- Methyltransferase, PDB code: 7wmt was solved by S.Yoshida, S.Uehara, N.Kondo, Y.Takahashi, S.Yamamoto, A.Kameda, S.Kawagoe, N.Inoue, M.Yamada, N.Yoshimura, Y.Tachibana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.26 / 1.77
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	62.654, 62.654, 67.121, 90, 90, 120
R / Rfree (%)	15.5 / 19.1

The binding sites of Chlorine atom in the Crystal Structure of Small Molecule 13 Bound to Human Nicotinamide N- Methyltransferase (pdb code 7wmt). 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 Small Molecule 13 Bound to Human Nicotinamide N- Methyltransferase, PDB code: 7wmt:

Chlorine binding site 1 out of 1 in the Crystal Structure of Small Molecule 13 Bound to Human Nicotinamide N- Methyltransferase


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 Small Molecule 13 Bound to Human Nicotinamide N- Methyltransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:38.5 occ:1.00 CL A:1IV501 0.0 38.5 1.0 C9 A:1IV501 1.7 37.2 1.0 C8 A:1IV501 2.7 34.0 1.0 C10 A:1IV501 2.8 35.3 1.0 N A:LYS8 3.4 36.5 1.0 O A:HOH694 3.4 42.3 1.0 C A:SER7 3.7 39.6 1.0 CG2 A:THR144 3.8 38.1 1.0 CA A:LYS8 3.9 39.9 1.0 C7 A:1IV501 3.9 33.2 1.0 CA A:SER7 3.9 41.1 1.0 CG2 A:THR175 4.0 36.8 1.0 C11 A:1IV501 4.0 36.4 1.0 O A:THR6 4.3 40.2 1.0 CB A:LYS8 4.3 44.1 1.0 O A:SER7 4.3 38.1 1.0 C24 A:1IV501 4.4 35.5 1.0 CB A:PRO171 4.5 39.9 1.0 C6 A:1IV501 4.5 34.7 1.0 O A:HOH686 4.7 42.3 1.0 N A:SER7 4.8 41.4 1.0 C A:THR6 4.8 47.1 1.0 C25 A:1IV501 4.9 35.2 1.0 O A:HOH792 4.9 61.6 1.0 N3 A:1IV501 4.9 35.3 1.0

S.Yoshida, S.Uehara, N.Kondo, Y.Takahashi, S.Yamamoto, A.Kameda, S.Kawagoe, N.Inoue, M.Yamada, N.Yoshimura, Y.Tachibana. Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy From High-Affinity Macrocyclic Peptides. J.Med.Chem. V. 65 10655 2022.
ISSN: ISSN 0022-2623
PubMed: 35904556
DOI: 10.1021/ACS.JMEDCHEM.2C00919