Zinc in PDB 3u8q: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution, PDB code: 3u8q was solved by P.K.Shukla, L.Gautam, 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)	39.01 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.437, 49.918, 65.486, 90.00, 107.26, 90.00
R / Rfree (%)	17.9 / 19.8

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Zinc atom in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution (pdb code 3u8q). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution, PDB code: 3u8q:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn695 b:29.3 occ:1.00 OE2 A:GLU659 2.2 29.4 1.0 O A:HOH252 2.2 29.2 1.0 OE1 A:GLU659 2.4 25.3 1.0 CD A:GLU659 2.6 27.1 1.0 O A:GLY653 3.9 33.3 1.0 O A:HOH202 3.9 48.4 1.0 CG A:GLU659 4.1 26.3 1.0 O A:ARG654 4.4 26.9 1.0 O A:HOH85 4.6 52.4 1.0 CA A:PRO655 4.7 24.3 1.0 CB A:GLU659 4.8 24.8 1.0 N A:THR656 4.9 22.9 1.0 C A:ARG654 5.0 29.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn696 b:33.5 occ:1.00 NE2 A:HIS588 2.2 28.4 1.0 CE1 A:HIS588 3.1 30.0 1.0 CD2 A:HIS588 3.1 28.1 1.0 ND1 A:HIS588 4.2 28.3 1.0 CG2 A:VAL591 4.3 30.7 1.0 CG A:HIS588 4.3 25.9 1.0 O A:HOH20 4.7 27.5 1.0

P.K.Shukla, L.Gautam, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Phenyl-Propanolamine at 1.97 A Resolution To Be Published.