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Nickel in PDB 3inc: Crystal Structure of Human Insulin with Ni+2 Complex

Protein crystallography data

The structure of Crystal Structure of Human Insulin with Ni+2 Complex, PDB code: 3inc was solved by N.Raghavendra, V.Pattabhi, S.S.Rajan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.47 / 1.85
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 81.654, 81.654, 33.767, 90.00, 90.00, 120.00
R / Rfree (%) 20.3 / 25.7

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of Human Insulin with Ni+2 Complex (pdb code 3inc). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Human Insulin with Ni+2 Complex, PDB code: 3inc:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 3inc

Go back to Nickel Binding Sites List in 3inc
Nickel binding site 1 out of 2 in the Crystal Structure of Human Insulin with Ni+2 Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Human Insulin with Ni+2 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni31

b:27.1
occ:0.33
NE2 B:HIS10 2.1 17.4 1.0
O B:HOH35 2.6 38.7 0.3
CE1 B:HIS10 3.1 22.9 1.0
CD2 B:HIS10 3.1 20.3 1.0
O B:HOH40 4.1 40.3 1.0
ND1 B:HIS10 4.2 22.1 1.0
CG B:HIS10 4.2 18.6 1.0

Nickel binding site 2 out of 2 in 3inc

Go back to Nickel Binding Sites List in 3inc
Nickel binding site 2 out of 2 in the Crystal Structure of Human Insulin with Ni+2 Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Human Insulin with Ni+2 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni31

b:27.2
occ:0.33
NE2 D:HIS10 2.1 19.1 1.0
O D:HOH41 2.6 30.8 1.0
CD2 D:HIS10 3.0 20.4 1.0
CE1 D:HIS10 3.1 21.9 1.0
CG D:HIS10 4.2 20.2 1.0
ND1 D:HIS10 4.2 23.4 1.0
O D:HOH36 4.8 33.2 1.0

Reference:

N.Raghavendra, V.Pattabhi, S.S.Rajan. Metal Induced Conformational Changes in Human Insulin: Crystal Structures of Sr+2, Ni+2 and Cu+2 Complexes of Human Insulin To Be Published.
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