Sodium in PDB 7u0m: Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916

All present enzymatic activity of Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916:
1.3.1.9;

The structure of Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916, PDB code: 7u0m was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.32 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.31, 102.31, 76.82, 90, 114.17, 90
R / Rfree (%)	15.1 / 17.9

The binding sites of Sodium atom in the Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916 (pdb code 7u0m). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916, PDB code: 7u0m:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:18.1 occ:1.00 O A:HOH617 2.3 24.3 1.0 O A:ALA226 2.4 11.2 1.0 O A:ASP223 2.4 14.2 1.0 O A:GLN224 2.4 17.2 1.0 O A:HOH642 2.5 31.2 1.0 O A:HOH644 2.6 22.0 1.0 C A:GLN224 3.1 16.2 1.0 O A:HOH425 3.3 25.6 1.0 C A:ALA226 3.5 10.1 1.0 CA A:GLN224 3.5 17.4 1.0 C A:ASP223 3.5 15.2 1.0 N A:ALA226 3.9 10.5 1.0 N A:GLN224 4.0 15.4 1.0 O A:HOH651 4.1 23.5 0.5 C A:ARG225 4.1 12.1 1.0 N A:ARG225 4.1 14.7 1.0 N A:GLY229 4.2 12.1 1.0 CA A:ALA226 4.2 10.1 1.0 O A:HOH538 4.2 38.6 1.0 O A:HOH733 4.3 40.9 1.0 CA A:GLY229 4.3 12.5 1.0 O A:HOH604 4.4 38.0 1.0 N A:PRO227 4.5 9.8 1.0 O A:ARG225 4.5 12.2 1.0 O A:HOH445 4.5 46.3 1.0 CB A:ALA226 4.6 9.8 1.0 CA A:PRO227 4.6 10.6 1.0 O A:HOH651 4.6 24.3 0.5 CA A:ARG225 4.6 14.6 1.0 C A:PRO227 4.7 10.9 1.0 O A:HOH453 4.8 32.9 1.0 O A:PRO227 4.8 12.1 1.0 CA A:ASP223 4.8 15.0 1.0 CB A:GLN224 4.9 20.7 1.0 OD1 A:ASP223 5.0 16.8 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of A Enoyl-[Acyl-Carrier-Protein] Reductase (Inha) From Mycobacterium Abscessus Bound to Nad and Nitd-916 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na303 b:20.8 occ:1.00 O B:HOH611 2.3 29.6 1.0 O B:ALA226 2.4 12.2 1.0 O B:ASP223 2.5 14.7 1.0 O B:HOH641 2.5 27.9 1.0 O B:HOH639 2.5 30.3 1.0 O B:GLN224 2.5 17.1 1.0 C B:GLN224 3.2 16.0 1.0 O B:HOH438 3.3 44.1 1.0 C B:ALA226 3.5 10.8 1.0 C B:ASP223 3.6 15.5 1.0 CA B:GLN224 3.6 17.2 1.0 N B:ALA226 3.9 10.6 1.0 N B:GLN224 4.1 15.8 1.0 C B:ARG225 4.1 11.4 1.0 N B:ARG225 4.1 14.4 1.0 N B:GLY229 4.2 11.8 1.0 CA B:ALA226 4.2 10.1 1.0 CA B:GLY229 4.3 12.4 1.0 N B:PRO227 4.4 10.6 1.0 O B:HOH474 4.5 38.1 1.0 O B:HOH597 4.5 43.5 1.0 CB B:ALA226 4.5 10.2 1.0 CA B:PRO227 4.6 11.3 1.0 O B:ARG225 4.6 12.2 1.0 C B:PRO227 4.6 11.7 1.0 CA B:ARG225 4.7 14.3 1.0 O B:PRO227 4.8 13.1 1.0 CA B:ASP223 4.9 15.6 1.0 O B:HOH457 5.0 34.1 1.0 CB B:GLN224 5.0 20.5 1.0 O B:HOH633 5.0 49.4 1.0 OD1 B:ASP223 5.0 17.9 1.0

M.Alcaraz, F.Roquet-Baneres, S.A.Leon-Icaza, J.Abendroth, Y.M.Boudehen, C.Cougoule, T.E.Edwards, L.Kremer. Efficacy and Mode of Action of A Direct Inhibitor of Mycobacterium Abscessus Inha. Acs Infect Dis. V. 8 2171 2022.
ISSN: ESSN 2373-8227
PubMed: 36107992
DOI: 10.1021/ACSINFECDIS.2C00314