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

Protein crystallography data

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

Other elements in 4n6p:

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

Chlorine Binding Sites:

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 4n6p

Go back to Chlorine Binding Sites List in 4n6p
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 4n6p

Go back to Chlorine Binding Sites List in 4n6p
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

Reference:

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.
Page generated: Sat Dec 12 10:57:49 2020

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