Iodine in PDB 8u8w: Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Pyruvate and Halides Bound)

The structure of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Pyruvate and Halides Bound), PDB code: 8u8w 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)	32.60 / 1.80
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.413, 97.413, 205.512, 90, 90, 120
R / Rfree (%)	16.4 / 18.7

The structure of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Pyruvate and Halides Bound) also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Iodine atom in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Pyruvate and Halides Bound) (pdb code 8u8w). 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 (Pyruvate and Halides Bound), PDB code: 8u8w:
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 (Pyruvate and Halides Bound)


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 (Pyruvate and Halides Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:39.3 occ:0.50 NH1 A:ARG29 3.9 52.7 1.0 CG A:ARG29 4.0 40.7 1.0 CA A:ARG29 4.0 38.0 1.0 CB A:ARG29 4.1 44.2 1.0 CG A:ARG32 4.3 59.5 1.0 CD A:ARG32 4.3 66.7 1.0 CB A:ARG32 4.4 40.8 1.0 CD A:ARG29 4.5 43.9 1.0 N A:ARG29 4.7 34.4 1.0 O A:HOH460 4.8 61.7 1.0 O A:HOH544 4.8 56.2 1.0 CZ A:ARG29 5.0 47.9 1.0 O A:ARG28 5.0 34.5 1.0 O A:HOH586 5.0 64.8 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Pyruvate and Halides Bound)


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 (Pyruvate and Halides Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:31.2 occ:0.20 C1 A:PYR306 0.7 37.1 0.8 O2 A:PYR306 0.8 31.5 0.8 O1 A:PYR306 1.5 37.5 0.8 C2 A:PYR306 2.2 36.1 0.8 N A:SER47 3.0 37.7 1.0 NZ A:LYS165 3.0 36.3 0.8 NZ A:LYS165 3.0 34.5 0.2 C3 A:PYR306 3.3 36.3 0.8 N A:THR48 3.3 36.0 1.0 OH A:TYR137 3.5 30.3 0.7 CB A:SER47 3.6 39.4 1.0 OG1 A:THR48 3.6 38.4 1.0 C A:GLY46 3.7 33.4 1.0 CA A:GLY46 3.7 31.0 1.0 CA A:SER47 3.7 37.7 1.0 CE2 A:TYR43 3.9 32.0 1.0 OG A:SER47 3.9 42.8 1.0 CB A:ALA11 3.9 33.4 1.0 C A:SER47 4.0 35.4 1.0 CB A:THR48 4.1 38.0 1.0 CZ A:TYR137 4.1 35.7 0.7 CD2 A:TYR43 4.2 30.8 1.0 CE2 A:TYR137 4.2 34.7 0.7 CE A:LYS165 4.3 33.8 0.2 CA A:THR48 4.3 37.0 1.0 O A:HOH422 4.4 47.5 1.0 OH A:TYR137 4.4 28.6 0.3 O A:HOH498 4.4 47.0 1.0 CE A:LYS165 4.5 35.3 0.8 O A:HOH547 4.5 31.3 1.0 O A:GLY46 4.7 36.6 1.0 N A:GLY46 4.8 30.6 1.0 CZ A:TYR43 5.0 31.5 1.0

S.Lovell, L.Liu, S.Seibold, K.P.Battaile. Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Pyruvate and Halides Bound) To Be Published.