Zinc in PDB 3tod: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 A Resolution

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 A Resolution, PDB code: 3tod 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)	62.39 / 1.38
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.415, 49.977, 65.289, 90.00, 107.14, 90.00
R / Rfree (%)	20 / 23.6

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 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 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 A Resolution (pdb code 3tod). 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 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 A Resolution, PDB code: 3tod:
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 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 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 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn695 b:14.4 occ:1.00 O A:HOH53 2.1 15.4 1.0 OE1 A:GLU659 2.2 10.8 1.0 OE2 A:GLU659 2.2 14.9 1.0 CD A:GLU659 2.4 10.7 1.0 O A:GLY653 3.8 23.1 1.0 O A:HOH795 4.0 31.1 1.0 CG A:GLU659 4.0 13.6 1.0 O A:ARG654 4.4 15.6 1.0 O A:HOH902 4.5 49.8 1.0 CA A:PRO655 4.6 13.7 1.0 N A:THR656 4.7 11.8 1.0 CB A:GLU659 4.8 12.8 1.0 O A:HOH326 4.8 53.2 1.0 C A:GLY653 4.9 20.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 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 1- Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn696 b:17.9 occ:1.00 O A:HOH133 2.1 28.3 1.0 NE2 A:HIS588 2.1 15.7 1.0 O A:HOH19 2.1 19.7 1.0 O A:HOH309 2.2 10.5 1.0 CE1 A:HIS588 3.0 17.6 1.0 CD2 A:HIS588 3.1 14.9 1.0 O A:HOH179 4.1 34.3 1.0 ND1 A:HIS588 4.1 16.9 1.0 CG A:HIS588 4.2 13.9 1.0 O A:HOH297 4.2 39.6 1.0 CG2 A:VAL591 4.5 20.4 1.0 O A:HOH780 4.5 46.3 1.0 O A:HOH285 4.5 47.1 1.0 O A:HOH39 4.7 18.6 1.0 O A:HOH7 4.7 23.7 1.0 O A:HOH267 4.9 39.0 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 1-Butyl-1H-Pyrazole-5-Carboxylic Acid at 1.38 A Resolution To Be Published.