Iodine in PDB 8u90: Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form)

The structure of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form), PDB code: 8u90 was solved by Seattle Structural 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)	35.94 / 1.85
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.599, 97.599, 204.905, 90, 90, 120
R / Rfree (%)	17.1 / 19.9

The structure of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form) also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Chlorine	(Cl)	3 atoms

The binding sites of Iodine atom in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form) (pdb code 8u90). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form), PDB code: 8u90:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:45.8 occ:0.50 NH1 A:ARG29 3.5 52.0 1.0 CG A:ARG29 3.9 44.4 1.0 CA A:ARG29 4.1 42.6 1.0 CB A:ARG29 4.1 49.9 1.0 CD A:ARG29 4.2 43.8 1.0 O A:HOH576 4.5 64.8 1.0 CB A:ARG32 4.5 41.6 1.0 CD A:ARG32 4.5 66.8 1.0 CG A:ARG32 4.5 59.0 1.0 CZ A:ARG29 4.6 54.3 1.0 N A:ARG29 4.9 36.3 1.0 NE A:ARG29 4.9 41.0 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:49.5 occ:1.00 NZ A:LYS165 3.0 54.3 1.0 OG1 A:THR48 3.4 39.9 1.0 N A:SER47 3.4 39.2 1.0 N A:THR48 3.5 34.8 1.0 OH A:TYR137 3.6 36.0 0.6 CA A:GLY46 3.9 32.3 1.0 CB A:THR48 3.9 38.1 1.0 CE2 A:TYR43 3.9 34.3 1.0 CB A:ALA11 3.9 36.1 1.0 C A:GLY46 4.0 36.4 1.0 CB A:SER47 4.0 43.4 1.0 OG A:SER47 4.0 56.5 1.0 CA A:SER47 4.1 44.1 1.0 CZ A:TYR137 4.2 41.8 0.6 CD2 A:TYR43 4.2 32.9 1.0 O A:HOH519 4.3 46.1 1.0 O A:HOH434 4.3 40.4 1.0 OH A:TYR137 4.3 28.9 0.5 C A:SER47 4.4 37.9 1.0 CA A:THR48 4.4 36.4 1.0 CE2 A:TYR137 4.4 36.3 0.6 O A:HOH422 4.5 41.8 1.0 CE A:LYS165 4.5 45.9 1.0 O A:HOH536 4.6 33.0 1.0 O A:HOH499 4.7 54.8 1.0 N A:GLY46 4.9 29.9 1.0 O A:GLY46 4.9 37.5 1.0

S.Lovell, L.Liu, S.Seibold, K.P.Battaile. Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form) To Be Published.