Chlorine 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
Iodine	(I)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Hexagonal Form), PDB code: 8u90:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl302 b:62.6 occ:1.00 NH1 A:ARG59 3.0 32.9 1.0 O A:GLN54 3.1 34.9 1.0 O A:HOH561 3.3 59.3 1.0 O A:ALA51 3.3 32.1 1.0 CD A:ARG59 3.5 33.4 1.0 CZ A:ARG59 4.1 36.6 1.0 C A:GLN54 4.2 35.7 1.0 C A:ALA51 4.3 37.3 1.0 NE A:ARG59 4.3 34.6 1.0 CA A:PHE52 4.5 33.6 1.0 SG A:CYS82 4.5 36.1 1.0 CD1 A:PHE52 4.5 36.8 1.0 CD2 A:LEU56 4.6 44.0 1.0 O A:HOH567 4.6 38.5 1.0 O A:HOH518 4.7 57.9 1.0 C A:SER55 4.7 35.4 1.0 CG A:ARG59 4.7 38.6 1.0 N A:PHE52 4.9 33.5 1.0 O A:SER55 4.9 35.4 1.0 N A:LEU56 5.0 36.8 1.0

Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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:Cl303 b:43.2 occ:0.50 O A:HOH518 2.6 57.9 1.0 O A:HOH567 4.0 38.5 1.0 CE2 A:PHE109 4.4 40.7 1.0 CG2 A:VAL83 4.6 38.4 1.0 CZ A:PHE109 4.7 43.1 1.0

Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl304 b:66.6 occ:0.50 O A:LEU142 3.9 56.1 1.0 CD2 A:PHE109 4.1 37.3 1.0 N A:TYR110 4.2 37.6 1.0 O A:HOH401 4.2 54.7 1.0 CA A:TYR110 4.3 37.3 1.0 O A:SER143 4.4 49.3 1.0 CB A:PHE109 4.5 39.0 1.0 CG A:PHE109 4.7 39.9 1.0 CD1 A:TYR110 4.7 40.6 1.0 C A:SER143 4.8 58.5 1.0 CB A:TYR110 4.9 35.2 1.0 CE2 A:PHE109 5.0 40.7 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.