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Iodine in PDB 1eta: The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution

Protein crystallography data

The structure of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution, PDB code: 1eta was solved by B.C.Braden, L.K.Steinrauf, J.A.Hamilton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 5.00 / 1.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 43.640, 86.180, 65.600, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Iodine Binding Sites:

The binding sites of Iodine atom in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution (pdb code 1eta). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution, PDB code: 1eta:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 1eta

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Iodine binding site 1 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
1:I128

b:37.4
occ:0.13
 I3 1:T44128 0.0 37.4 0.1
C3 1:T44128 2.1 35.0 0.1
C2 1:T44128 2.9 35.0 0.1
C4 1:T44128 3.1 35.0 0.1
O4 1:T44128 3.3 35.0 0.1
C1' 1:T44128 3.7 35.0 0.1
C6' 1:T44128 4.1 35.0 0.1
C1 1:T44128 4.3 35.0 0.1
C5 1:T44128 4.3 35.0 0.1
C2' 1:T44128 4.5 35.0 0.1
CD1 1:LEU17 4.6 16.0 1.0
C6 1:T44128 4.8 35.0 0.1
CE 1:LYS15 4.9 25.2 1.0
NZ 1:LYS15 5.0 26.2 0.8

Iodine binding site 2 out of 8 in 1eta

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Iodine binding site 2 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
1:I128

b:32.4
occ:0.13
 I3' 1:T44128 0.0 32.4 0.1
C3' 1:T44128 2.1 35.0 0.1
C2' 1:T44128 3.0 35.0 0.1
C4' 1:T44128 3.0 35.0 0.1
O4' 1:T44128 3.2 35.0 0.1
C5' 1:T44128 4.3 35.0 0.1
C1' 1:T44128 4.3 35.0 0.1
C6' 1:T44128 4.7 35.0 0.1

Iodine binding site 3 out of 8 in 1eta

Go back to Iodine Binding Sites List in 1eta
Iodine binding site 3 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
1:I128

b:37.2
occ:0.13
 I5 1:T44128 0.0 37.2 0.1
C5 1:T44128 2.1 35.0 0.1
C6 1:T44128 3.0 35.0 0.1
C4 1:T44128 3.1 35.0 0.1
O4 1:T44128 3.3 35.0 0.1
CB 1:ALA108 3.8 19.6 1.0
C1' 1:T44128 3.8 35.0 0.1
C6' 1:T44128 4.0 35.0 0.1
CG2 1:THR106 4.1 22.0 1.0
CG2 1:VAL121 4.1 20.5 1.0
C1 1:T44128 4.3 35.0 0.1
C3 1:T44128 4.3 35.0 0.1
C2 1:T44128 4.8 35.0 0.1
C2' 1:T44128 4.9 35.0 0.1

Iodine binding site 4 out of 8 in 1eta

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Iodine binding site 4 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
1:I128

b:25.0
occ:0.13
 I5' 1:T44128 0.0 25.0 0.1
C5' 1:T44128 2.0 35.0 0.1
C6' 1:T44128 2.9 35.0 0.1
C4' 1:T44128 3.0 35.0 0.1
O 1:ALA109 3.1 16.5 1.0
O4' 1:T44128 3.3 35.0 0.1
CG 1:LEU17 3.3 17.6 1.0
CB 1:ALA108 3.6 19.6 1.0
C 1:ALA109 3.7 16.6 1.0
N 1:ALA109 3.7 17.4 1.0
CB 1:LEU17 3.7 17.4 1.0
O 1:LYS15 3.8 18.6 1.0
CD1 1:LEU17 3.8 16.0 1.0
N 1:LEU17 4.1 16.7 1.0
CG 1:LYS15 4.2 23.3 1.0
C 1:ALA108 4.2 18.4 1.0
C1' 1:T44128 4.2 35.0 0.1
CA 1:ALA108 4.2 18.5 1.0
C3' 1:T44128 4.3 35.0 0.1
N 1:LEU110 4.3 16.2 1.0
CA 1:ALA109 4.3 16.8 1.0
C 1:LYS15 4.5 18.9 1.0
CA 1:LEU110 4.6 15.4 1.0
CD2 1:LEU17 4.6 18.1 1.0
CA 1:LEU17 4.6 16.5 1.0
C 1:VAL16 4.6 16.7 1.0
CB 1:LEU110 4.6 15.6 1.0
CA 1:VAL16 4.7 17.2 1.0
C2' 1:T44128 4.7 35.0 0.1
N 1:VAL16 4.9 17.9 1.0
O 1:HOH250 5.0 20.9 0.7

Iodine binding site 5 out of 8 in 1eta

Go back to Iodine Binding Sites List in 1eta
Iodine binding site 5 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
2:I129

b:39.4
occ:0.13
 I3 2:T44129 0.0 39.4 0.1
C3 2:T44129 2.0 35.0 0.1
C2 2:T44129 2.9 35.0 0.1
C4 2:T44129 2.9 35.0 0.1
O4 2:T44129 3.2 35.0 0.1
C1' 2:T44129 3.5 35.0 0.1
CD1 2:LEU17 3.8 21.3 1.0
C6' 2:T44129 3.9 35.0 0.1
C2' 2:T44129 4.0 35.0 0.1
C5 2:T44129 4.2 35.0 0.1
C1 2:T44129 4.2 35.0 0.1
C6 2:T44129 4.7 35.0 0.1
C5' 2:T44129 4.7 35.0 0.1
C3' 2:T44129 4.9 35.0 0.1
CG 2:LEU17 4.9 20.6 1.0
CD2 2:LEU17 5.0 20.7 1.0

Iodine binding site 6 out of 8 in 1eta

Go back to Iodine Binding Sites List in 1eta
Iodine binding site 6 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
2:I129

b:32.4
occ:0.13
 I3' 2:T44129 0.0 32.4 0.1
C3' 2:T44129 2.1 35.0 0.1
C2' 2:T44129 2.9 35.0 0.1
C4' 2:T44129 3.0 35.0 0.1
O4' 2:T44129 3.3 35.0 0.1
C1' 2:T44129 4.3 35.0 0.1
C5' 2:T44129 4.3 35.0 0.1
C6' 2:T44129 4.7 35.0 0.1

Iodine binding site 7 out of 8 in 1eta

Go back to Iodine Binding Sites List in 1eta
Iodine binding site 7 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
2:I129

b:39.4
occ:0.13
 I5 2:T44129 0.0 39.4 0.1
C5 2:T44129 2.0 35.0 0.1
C4 2:T44129 2.9 35.0 0.1
C6 2:T44129 3.0 35.0 0.1
O4 2:T44129 3.1 35.0 0.1
C1' 2:T44129 3.8 35.0 0.1
C6' 2:T44129 4.0 35.0 0.1
CG2 2:THR106 4.0 25.3 1.0
C3 2:T44129 4.1 35.0 0.1
C1 2:T44129 4.3 35.0 0.1
CB 2:ALA108 4.5 22.0 1.0
C2 2:T44129 4.7 35.0 0.1
CD 2:LYS15 4.8 26.9 1.0
CG2 2:VAL121 4.8 26.1 1.0
C2' 2:T44129 4.9 35.0 0.1
CB 2:LYS15 4.9 23.8 1.0

Iodine binding site 8 out of 8 in 1eta

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Iodine binding site 8 out of 8 in the The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val 30-->Met Variant to 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
2:I129

b:29.7
occ:0.13
 I5' 2:T44129 0.0 29.7 0.1
C5' 2:T44129 2.1 35.0 0.1
C6' 2:T44129 2.9 35.0 0.1
C4' 2:T44129 3.0 35.0 0.1
O 2:ALA109 3.1 19.4 1.0
CD1 2:LEU17 3.3 21.3 1.0
O4' 2:T44129 3.3 35.0 0.1
CG 2:LEU17 3.3 20.6 1.0
C 2:ALA109 3.6 19.3 1.0
CB 2:ALA108 3.6 22.0 1.0
N 2:ALA109 3.7 21.1 1.0
CB 2:LEU17 3.7 20.8 1.0
N 2:LEU110 4.1 17.9 1.0
C 2:ALA108 4.1 21.7 1.0
O 2:LYS15 4.1 22.9 1.0
N 2:LEU17 4.2 20.2 1.0
CA 2:ALA108 4.2 22.1 1.0
C1' 2:T44129 4.3 35.0 0.1
C3' 2:T44129 4.3 35.0 0.1
CA 2:ALA109 4.3 20.0 1.0
CA 2:LEU110 4.4 16.6 1.0
CB 2:LEU110 4.4 16.1 1.0
CG 2:LYS15 4.6 25.8 1.0
CA 2:LEU17 4.6 19.7 1.0
C 2:LYS15 4.7 22.4 1.0
CD2 2:LEU17 4.7 20.7 1.0
C2' 2:T44129 4.8 35.0 0.1
C 2:VAL16 4.8 20.7 1.0
CA 2:VAL16 4.9 20.8 1.0
O 2:HOH239 4.9 26.9 0.4
CD1 2:LEU110 4.9 15.4 1.0
O 2:ALA108 5.0 22.4 1.0

Reference:

J.A.Hamilton, L.K.Steinrauf, B.C.Braden, J.Liepnieks, M.D.Benson, G.Holmgren, O.Sandgren, L.Steen. The X-Ray Crystal Structure Refinements of Normal Human Transthyretin and the Amyloidogenic Val-30-->Met Variant to 1.7-A Resolution. J.Biol.Chem. V. 268 2416 1993.
ISSN: ISSN 0021-9258
PubMed: 8428915
Page generated: Sun Aug 11 09:34:51 2024

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