Chlorine in PDB 6ckl: N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN

All present enzymatic activity of N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN:
2.7.7.43;

The structure of N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN, PDB code: 6ckl was solved by M.M.Matthews, A.J.Fisher, X.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	97.86 / 2.68
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	128.480, 151.010, 84.900, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.2

The binding sites of Chlorine atom in the N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN (pdb code 6ckl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN, PDB code: 6ckl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:40.5 occ:1.00 O2' A:C5P701 2.8 33.2 1.0 CB A:SER15 3.0 66.9 1.0 NH1 A:ARG12 3.1 38.6 1.0 C2' A:C5P701 3.6 31.1 1.0 CA A:SER15 3.6 65.5 1.0 CE A:LYS21 3.8 43.9 1.0 CG A:ARG12 3.8 35.9 1.0 NZ A:LYS21 4.1 46.5 1.0 CD A:ARG12 4.2 36.8 1.0 OG A:SER15 4.2 57.9 1.0 CZ A:ARG12 4.3 36.4 1.0 C3' A:C5P701 4.3 30.8 1.0 ND2 A:ASN22 4.6 34.2 1.0 N A:SER15 4.6 57.6 1.0 NE A:ARG12 4.7 37.5 1.0 C A:SER15 4.7 68.3 1.0 O3' A:C5P701 4.8 27.8 1.0 N A:LYS16 4.9 72.8 1.0 C1' A:C5P701 4.9 31.9 1.0 CB A:LYS21 4.9 41.2 1.0 O A:HOH826 5.0 29.6 1.0

Chlorine binding site 2 out of 3 in the N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:42.3 occ:1.00 O2' B:C5P303 2.8 34.2 1.0 NE B:ARG12 3.2 70.2 1.0 C2' B:C5P303 3.3 34.9 1.0 CB B:SER15 3.5 62.7 1.0 CE B:LYS21 3.9 47.2 1.0 CD B:ARG12 4.0 60.8 1.0 CG B:ARG12 4.0 55.1 1.0 NZ B:LYS21 4.0 49.2 1.0 NH2 B:ARG12 4.0 75.0 1.0 C3' B:C5P303 4.1 35.1 1.0 CZ B:ARG12 4.1 75.0 1.0 CA B:SER15 4.1 62.6 1.0 O3P B:C5P303 4.3 43.1 1.0 O5' B:C5P303 4.4 39.4 1.0 C1' B:C5P303 4.6 35.6 1.0 OG B:SER15 4.8 59.7 1.0 O3' B:C5P303 4.8 33.3 1.0 ND2 B:ASN22 4.9 32.0 1.0 N1 B:C5P303 5.0 34.1 1.0

Chlorine binding site 3 out of 3 in the N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of N. Meningitidis Cmp-Sialic Acid Synthetase in the Presence of Cmp and NEU5AC2EN within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:48.8 occ:1.00 NH1 C:ARG12 3.0 48.7 1.0 CB C:SER15 3.2 65.3 1.0 O2' C:C5P302 3.2 34.4 1.0 CE C:LYS21 3.6 52.5 1.0 C2' C:C5P302 3.7 34.2 1.0 NZ C:LYS21 3.8 54.4 1.0 CA C:SER15 3.8 60.6 1.0 CG C:ARG12 4.2 40.1 1.0 CZ C:ARG12 4.2 46.8 1.0 C3' C:C5P302 4.4 34.6 1.0 CD C:ARG12 4.4 41.4 1.0 OG C:SER15 4.5 70.7 1.0 O1P C:C5P302 4.6 43.0 1.0 N C:LYS16 4.7 68.7 1.0 C C:SER15 4.7 62.8 1.0 NE C:ARG12 4.7 41.4 1.0 O5' C:C5P302 4.8 40.1 1.0 O C:HOH408 4.9 20.6 1.0 N C:SER15 4.9 57.0 1.0 CD C:LYS21 4.9 51.6 1.0 ND2 C:ASN22 5.0 32.2 1.0

M.M.Matthews, H.Yu, Y.Li, X.Chen, A.J.Fisher. Structural Insight Into the Mechanism of Cmp-Sialic Acid Synthetase To Be Published.