Chlorine in PDB 4n6p: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution, PDB code: 4n6p was solved by L.Gautam, D.Dube, M.Sinha, P.Kaur, S.Sharma, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.144, 49.884, 65.210, 90.00, 106.83, 90.00
R / Rfree (%)	17.7 / 20.8

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution (pdb code 4n6p). 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 C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution, PDB code: 4n6p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution


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 C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl713 b:8.9 occ:1.00 CL1 A:JMS713 0.0 8.9 1.0 C2B A:JMS713 1.4 18.9 1.0 C3 A:JMS713 1.9 24.4 1.0 C1B A:JMS713 2.3 36.5 1.0 N A:JMS713 2.3 22.1 1.0 C2 A:JMS713 2.4 34.0 1.0 NE2 A:HIS588 2.5 15.3 1.0 C3B A:JMS713 2.7 29.6 1.0 C4 A:JMS713 3.1 42.3 1.0 CD2 A:HIS588 3.2 14.8 1.0 C7B A:JMS713 3.6 41.6 1.0 C6B A:JMS713 3.7 46.1 1.0 CE1 A:HIS588 3.7 14.3 1.0 C1 A:JMS713 3.9 32.9 1.0 C4B A:JMS713 3.9 44.5 1.0 C5 A:JMS713 4.3 39.8 1.0 C5B A:JMS713 4.3 47.5 1.0 CG A:HIS588 4.4 13.7 1.0 CG2 A:VAL591 4.5 20.8 1.0 C6 A:JMS713 4.6 35.7 1.0 ND1 A:HIS588 4.7 16.5 1.0 O A:HOH829 4.7 19.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution


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 C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl713 b:62.9 occ:1.00 CL2 A:JMS713 0.0 62.9 1.0 C6B A:JMS713 1.8 46.1 1.0 C5B A:JMS713 2.8 47.5 1.0 C1B A:JMS713 2.8 36.5 1.0 O A:LEU589 2.8 16.0 1.0 OH A:JMS713 2.9 25.3 1.0 N A:JMS713 3.0 22.1 1.0 CA A:ALA590 3.2 14.4 1.0 CB A:ALA590 3.5 15.6 1.0 C A:LEU589 3.7 14.3 1.0 N A:ALA590 3.9 14.3 1.0 C7 A:JMS713 3.9 35.0 1.0 C4B A:JMS713 4.1 44.5 1.0 C2 A:JMS713 4.1 34.0 1.0 C2B A:JMS713 4.2 18.9 1.0 C A:ALA590 4.4 13.6 1.0 C1 A:JMS713 4.4 32.9 1.0 C3B A:JMS713 4.6 29.6 1.0 OE2 A:GLU664 4.6 57.5 1.0 N A:VAL591 4.6 14.0 1.0 OXT A:JMS713 5.0 42.9 1.0

L.Gautam, D.Dube, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structre of C-Lobe of Bovine Lactoferrin Complexed with Meclofenamic Acid at 1.4 A Resolution To Be Published.