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Copper in PDB 3ir0: Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion

Protein crystallography data

The structure of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion, PDB code: 3ir0 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) 26.70 / 2.20
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 81.559, 81.559, 68.825, 90.00, 90.00, 120.00
R / Rfree (%) 26.8 / 29.9

Copper Binding Sites:

The binding sites of Copper atom in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion (pdb code 3ir0). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 12 binding sites of Copper where determined in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion, PDB code: 3ir0:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; 11; 12;

Copper binding site 1 out of 12 in 3ir0

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Copper binding site 1 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu31

b:17.6
occ:0.33
NE2 B:HIS10 2.1 4.6 1.0
CE1 B:HIS10 2.9 3.2 1.0
O B:HOH66 3.0 27.5 0.3
CD2 B:HIS10 3.2 2.5 1.0
ND1 B:HIS10 4.1 2.4 1.0
CG B:HIS10 4.2 3.9 1.0

Copper binding site 2 out of 12 in 3ir0

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Copper binding site 2 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cu31

b:25.2
occ:0.33
NE2 D:HIS10 2.1 6.1 1.0
CE1 D:HIS10 2.9 10.6 1.0
O D:HOH298 3.0 28.5 1.0
CD2 D:HIS10 3.1 6.5 1.0
ND1 D:HIS10 4.1 5.9 1.0
CG D:HIS10 4.2 6.0 1.0

Copper binding site 3 out of 12 in 3ir0

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Copper binding site 3 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cu31

b:21.5
occ:0.33
NE2 F:HIS10 2.1 7.8 1.0
O F:HOH54 2.8 12.0 0.3
CE1 F:HIS10 3.0 6.2 1.0
CD2 F:HIS10 3.1 5.8 1.0
ND1 F:HIS10 4.1 4.8 1.0
CG F:HIS10 4.2 8.2 1.0
O F:HOH213 4.9 17.9 1.0

Copper binding site 4 out of 12 in 3ir0

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Copper binding site 4 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cu31

b:26.8
occ:0.33
NE2 H:HIS10 2.0 7.8 1.0
O H:HOH210 2.8 17.9 1.0
CE1 H:HIS10 2.9 11.4 1.0
CD2 H:HIS10 3.1 7.2 1.0
ND1 H:HIS10 4.0 7.9 1.0
CG H:HIS10 4.2 6.2 1.0

Copper binding site 5 out of 12 in 3ir0

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Copper binding site 5 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cu31

b:12.7
occ:0.33
NE2 J:HIS10 2.2 6.5 1.0
O J:HOH33 3.0 2.0 0.3
CD2 J:HIS10 3.1 3.5 1.0
CE1 J:HIS10 3.3 3.8 1.0
CG J:HIS10 4.3 2.2 1.0
ND1 J:HIS10 4.3 3.6 1.0

Copper binding site 6 out of 12 in 3ir0

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Copper binding site 6 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cu31

b:25.2
occ:0.33
NE2 L:HIS10 2.0 2.0 1.0
O L:HOH236 2.6 20.3 1.0
CE1 L:HIS10 2.9 4.6 1.0
CD2 L:HIS10 3.2 2.0 1.0
ND1 L:HIS10 4.0 2.1 1.0
CG L:HIS10 4.2 3.0 1.0

Copper binding site 7 out of 12 in 3ir0

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Copper binding site 7 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cu31

b:15.0
occ:0.33
NE2 N:HIS10 2.1 3.9 1.0
CE1 N:HIS10 3.0 2.0 1.0
CD2 N:HIS10 3.1 2.0 1.0
O N:HOH43 3.6 34.7 1.0
ND1 N:HIS10 4.1 2.0 1.0
CG N:HIS10 4.2 2.0 1.0
O N:HOH204 5.0 34.6 1.0

Copper binding site 8 out of 12 in 3ir0

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Copper binding site 8 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cu31

b:24.1
occ:0.33
NE2 P:HIS10 2.0 3.3 1.0
O P:HOH267 2.3 8.0 0.3
CE1 P:HIS10 2.8 6.4 1.0
CD2 P:HIS10 3.2 3.0 1.0
ND1 P:HIS10 4.0 3.1 1.0
CG P:HIS10 4.2 3.4 1.0

Copper binding site 9 out of 12 in 3ir0

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Copper binding site 9 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cu31

b:35.1
occ:0.33
NE2 S:HIS10 2.3 9.7 1.0
O S:HOH140 2.5 8.3 0.3
CD2 S:HIS10 3.0 8.5 1.0
CE1 S:HIS10 3.4 11.6 1.0
CG S:HIS10 4.3 13.7 1.0
ND1 S:HIS10 4.4 9.9 1.0
O S:HOH253 4.7 27.1 1.0

Copper binding site 10 out of 12 in 3ir0

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Copper binding site 10 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
U:Cu31

b:31.7
occ:0.33
NE2 U:HIS10 2.0 6.4 1.0
O U:HOH203 2.8 17.8 1.0
CE1 U:HIS10 2.9 10.2 1.0
CD2 U:HIS10 3.1 4.6 1.0
ND1 U:HIS10 4.0 8.9 1.0
CG U:HIS10 4.2 5.8 1.0

Copper binding site 11 out of 12 in 3ir0

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Copper binding site 11 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 11 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
W:Cu31

b:21.4
occ:0.33
NE2 W:HIS10 2.6 11.4 1.0
O W:HOH32 2.6 9.8 0.3
CD2 W:HIS10 3.1 9.2 1.0
CE1 W:HIS10 3.8 13.2 1.0
CG W:HIS10 4.4 10.8 1.0
ND1 W:HIS10 4.7 12.2 1.0

Copper binding site 12 out of 12 in 3ir0

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Copper binding site 12 out of 12 in the Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 12 of Crystal Structure of Human Insulin Complexed with Cu+2 Metal Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:Cu31

b:28.4
occ:0.33
NE2 Y:HIS10 2.1 2.0 1.0
O Y:HOH250 2.6 15.7 1.0
CE1 Y:HIS10 2.9 7.3 1.0
CD2 Y:HIS10 3.2 2.0 1.0
ND1 Y:HIS10 4.0 6.0 1.0
CG Y:HIS10 4.2 4.5 1.0

Reference:

N.Raghavendra, V.Pattabhi, S.S.Rajan. Metal Induced Structural Changes Observed in Human Insulin To Be Published.
Page generated: Fri Sep 4 08:06:17 2020
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