Chlorine in PDB 8u91: Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)

The structure of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form), PDB code: 8u91 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)	47.66 / 2.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.101, 146.566, 216.916, 90, 90, 90
R / Rfree (%)	18 / 22.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) (pdb code 8u91). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 21 binding sites of Chlorine where determined in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form), PDB code: 8u91:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P 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, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:85.0 occ:1.00 NE2 C:GLN233 4.5 69.1 1.0 CB A:LEU224 4.8 62.2 1.0 O A:LEU198 4.8 53.0 1.0

Chlorine binding site 2 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P 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, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:58.2 occ:1.00 N A:SER47 3.1 63.3 1.0 NZ A:LYS165 3.2 76.6 1.0 N A:THR48 3.2 48.6 1.0 OG1 A:THR48 3.6 61.2 1.0 CE2 A:TYR43 3.7 39.7 1.0 C A:GLY46 3.8 48.7 1.0 CB A:SER47 3.8 51.5 1.0 CA A:GLY46 3.8 49.6 1.0 CA A:SER47 3.8 62.3 1.0 CB A:THR48 3.9 56.5 1.0 OH A:TYR137 3.9 83.1 1.0 CD2 A:TYR43 4.0 41.5 1.0 CB A:ALA11 4.0 52.1 1.0 C A:SER47 4.0 54.4 1.0 OG A:SER47 4.2 92.7 1.0 CA A:THR48 4.2 50.7 1.0 O A:HOH417 4.5 42.2 1.0 CE A:LYS165 4.6 71.5 1.0 O A:GLY46 4.8 47.6 1.0 CZ A:TYR43 4.9 42.7 1.0 N A:GLY46 4.9 44.8 1.0

Chlorine binding site 3 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P 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, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:53.0 occ:1.00 N B:SER47 3.3 61.2 1.0 N B:THR48 3.3 42.1 1.0 NZ B:LYS165 3.3 66.3 1.0 OG1 B:THR48 3.5 59.5 1.0 CA B:GLY46 3.8 57.1 1.0 C B:GLY46 3.8 43.0 1.0 CB B:ALA11 3.8 51.3 1.0 CE2 B:TYR43 3.9 43.6 1.0 CB B:THR48 3.9 46.3 1.0 CA B:SER47 4.0 59.4 1.0 CB B:SER47 4.0 51.9 1.0 C B:SER47 4.1 53.4 1.0 CD2 B:TYR43 4.1 38.9 1.0 CA B:THR48 4.2 46.6 1.0 OH B:TYR137 4.4 70.8 1.0 O B:HOH414 4.4 42.1 1.0 OG B:SER47 4.6 75.6 1.0 CE B:LYS165 4.7 63.0 1.0 O B:GLY46 4.8 56.3 1.0 N B:GLY46 4.8 45.4 1.0

Chlorine binding site 4 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:91.0 occ:1.00 OE1 B:GLU64 3.4 99.3 1.0 NH2 B:ARG24 3.8 61.5 1.0 CD B:GLU64 3.9 81.0 1.0 NH1 B:ARG24 4.2 61.7 1.0 OE2 B:GLU64 4.3 92.0 1.0 CZ B:ARG24 4.5 59.8 1.0 CG B:GLU64 4.6 72.5 1.0 OE2 B:GLU68 4.8 78.6 1.0

Chlorine binding site 5 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:86.0 occ:1.00 O D:HOH446 3.9 46.3 1.0 NE2 B:GLN233 4.3 61.6 1.0 OE1 B:GLN233 4.8 62.7 1.0 CB D:LEU224 4.8 55.3 1.0 OG1 B:THR229 4.8 64.0 1.0 CD B:GLN233 4.9 56.3 1.0

Chlorine binding site 6 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:90.1 occ:1.00 O C:ASP263 3.9 71.8 1.0 NH2 C:ARG29 4.3 70.6 1.0 OG C:SER266 4.3 68.3 1.0 NE C:ARG29 4.3 66.7 1.0 CZ C:ARG29 4.3 62.0 1.0 C C:ASP263 4.6 74.2 1.0 CA C:ASP263 4.9 85.7 1.0 NH1 C:ARG29 4.9 66.2 1.0 CD C:ARG29 5.0 57.4 1.0

Chlorine binding site 7 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:70.4 occ:1.00 NE C:ARG28 3.4 69.8 1.0 N C:ALA25 4.0 55.8 1.0 CA C:ALA25 4.1 57.4 1.0 CD C:ARG28 4.1 69.2 1.0 CB C:ARG24 4.2 69.0 1.0 NH2 C:ARG28 4.2 78.5 1.0 CZ C:ARG28 4.2 65.5 1.0 C C:ARG24 4.3 60.6 1.0 CB C:ALA25 4.3 55.7 1.0 NH1 C:ARG24 4.3 83.4 1.0 O C:ARG24 4.6 65.0 1.0 CA C:ARG24 4.9 58.4 1.0

Chlorine binding site 8 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:59.1 occ:1.00 N C:THR48 3.2 45.3 1.0 N C:SER47 3.2 59.2 1.0 NZ C:LYS165 3.3 60.9 1.0 OG1 C:THR48 3.4 59.1 1.0 C C:GLY46 3.8 54.8 1.0 CA C:GLY46 3.8 63.9 1.0 CB C:THR48 3.8 50.1 1.0 CB C:ALA11 3.9 55.1 1.0 CA C:SER47 3.9 61.1 1.0 CB C:SER47 3.9 52.4 1.0 CE2 C:TYR43 3.9 50.6 1.0 O C:HOH433 4.0 56.2 1.0 C C:SER47 4.0 53.7 1.0 CA C:THR48 4.1 56.0 1.0 CD2 C:TYR43 4.1 42.6 1.0 O C:HOH421 4.2 53.1 1.0 OH C:TYR137 4.4 73.5 1.0 OG C:SER47 4.6 69.8 1.0 CE C:LYS165 4.7 74.8 1.0 O C:GLY46 4.7 61.7 1.0 N C:GLY46 4.8 53.7 1.0 N C:GLY49 5.0 51.6 1.0

Chlorine binding site 9 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl307 b:97.8 occ:1.00 NH2 C:ARG24 2.9 95.3 1.0 CZ C:ARG24 3.9 102.6 1.0 NH1 C:ARG24 4.0 83.4 1.0 OE2 C:GLU68 4.0 71.8 1.0 NH2 C:ARG28 4.4 78.5 1.0 OE1 C:GLU68 4.5 55.4 1.0 CD C:GLU68 4.7 66.7 1.0

Chlorine binding site 10 out of 21 in the Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of N-Acetylneuraminate Lyase (Nana) From Klebsiella Aerogenes (Apo, Orthorhombic P Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:81.9 occ:1.00 CG2 D:VAL145 3.7 71.5 0.5 O D:PHE113 3.9 53.9 1.0 CG1 D:VAL145 4.3 70.8 0.5 CB D:VAL145 4.4 76.2 0.5 O D:HOH457 4.5 54.2 1.0 O D:HOH417 4.5 58.6 1.0 O D:LYS146 4.7 80.9 0.5 N D:PHE115 4.8 56.4 1.0 CG1 D:VAL145 4.8 55.4 0.5 NE2 D:HIS118 5.0 58.9 1.0 C D:SER114 5.0 53.9 1.0

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