Chlorine 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
Iodine	(I)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Pyruvate and Halides Bound), PDB code: 8u8w:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl302 b:56.9 occ:1.00 O A:GLN54 3.0 33.0 1.0 O A:HOH574 3.1 61.9 1.0 NH1 A:ARG59 3.1 31.5 1.0 O A:ALA51 3.4 32.6 1.0 CD A:ARG59 3.6 30.1 1.0 CZ A:ARG59 4.1 33.3 1.0 C A:GLN54 4.2 33.9 1.0 O A:HOH562 4.2 48.5 1.0 NE A:ARG59 4.3 31.7 1.0 C A:ALA51 4.4 32.2 1.0 SG A:CYS82 4.5 35.0 1.0 CD2 A:LEU56 4.6 42.9 1.0 CA A:PHE52 4.6 30.8 1.0 O A:HOH585 4.6 35.2 1.0 C A:SER55 4.7 35.5 1.0 O A:HOH490 4.7 57.2 1.0 CD1 A:PHE52 4.7 34.3 1.0 CG A:ARG59 4.8 32.5 1.0 N A:LEU56 4.8 34.9 1.0 O A:SER55 4.8 32.6 1.0 CA A:SER55 4.9 34.0 1.0 N A:PHE52 5.0 30.4 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl303 b:38.9 occ:0.50 O A:HOH490 2.2 57.2 1.0 O A:HOH585 3.3 35.2 1.0 CZ A:PHE109 4.0 37.4 1.0 CE1 A:PHE109 4.0 36.7 1.0 CD1 A:PHE52 4.4 34.3 1.0 CB A:PHE52 4.4 32.9 1.0 CG2 A:VAL83 4.5 34.4 1.0 O A:PHE52 4.6 32.6 1.0 CG A:PHE52 4.7 34.0 1.0 O A:HOH574 4.8 61.9 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.