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Zinc in PDB 4fim: Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Celecoxib Acid at 1.80 A Resolution

Protein crystallography data

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Celecoxib Acid at 1.80 A Resolution, PDB code: 4fim 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) 62.55 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.511, 49.817, 65.419, 90.00, 107.03, 90.00
R / Rfree (%) 16 / 21.1

Other elements in 4fim:

The structure of Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Celecoxib Acid at 1.80 A Resolution also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Iron (Fe) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Celecoxib Acid at 1.80 A Resolution (pdb code 4fim). 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 Celecoxib Acid at 1.80 A Resolution, PDB code: 4fim:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4fim

Go back to Zinc Binding Sites List in 4fim
Zinc binding site 1 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Celecoxib Acid at 1.80 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 Celecoxib Acid at 1.80 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn703

b:19.2
occ:1.00
O A:HOH1010 2.0 24.7 1.0
OE2 A:GLU659 2.1 19.0 1.0
OE1 A:GLU659 2.3 15.9 1.0
CD A:GLU659 2.5 18.2 1.0
O A:GLY653 3.7 24.5 1.0
O A:HOH981 4.0 35.1 1.0
CG A:GLU659 4.0 17.4 1.0
O A:ARG654 4.4 16.0 1.0
CA A:PRO655 4.6 16.9 1.0
CB A:GLU659 4.8 15.3 1.0
N A:THR656 4.8 15.5 1.0
C A:GLY653 4.9 23.7 1.0
C A:ARG654 5.0 19.5 1.0

Zinc binding site 2 out of 2 in 4fim

Go back to Zinc Binding Sites List in 4fim
Zinc binding site 2 out of 2 in the Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Celecoxib Acid at 1.80 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 Celecoxib Acid at 1.80 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn704

b:25.3
occ:1.00
NE2 A:HIS588 2.0 20.3 1.0
CE1 A:HIS588 3.0 18.5 1.0
CD2 A:HIS588 3.1 20.5 1.0
O A:HOH1098 4.1 27.9 1.0
ND1 A:HIS588 4.1 20.6 1.0
CG A:HIS588 4.2 18.0 1.0
CG2 A:VAL591 4.3 20.4 1.0
O A:HOH1089 4.6 48.2 1.0
O A:HOH1001 4.8 26.9 1.0
O A:HOH818 4.8 27.1 1.0

Reference:

P.K.Shukla, L.Gautam, M.Sinha, P.Kaur, S.Sharma, T.P.Singh. Crystal Structure of C-Lobe of Bovine Lactoferrin Complexed with Celecoxib Acid at 1.80 A Resolution To Be Published.
Page generated: Sat Oct 26 22:28:38 2024

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