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Iodine in PDB 1hk1: Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)

Protein crystallography data

The structure of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine), PDB code: 1hk1 was solved by I.Petitpas, C.E.Petersen, C.E.Ha, A.A.Bhattacharya, P.A.Zunszain, J.Ghuman, N.V.Bhagavan, S.Curry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.36 / 2.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.140, 88.570, 59.820, 90.00, 102.39, 90.00
R / Rfree (%) 20 / 25.2

Iodine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iodine atom in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) (pdb code 1hk1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 16 binding sites of Iodine where determined in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine), PDB code: 1hk1:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 16 in 1hk1

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Iodine binding site 1 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:60.4
occ:0.46
I3 A:T443001 0.0 60.4 0.5
C3 A:T443001 2.1 57.7 0.5
C2 A:T443001 3.0 58.5 0.5
C4 A:T443001 3.1 57.2 0.5
O4 A:T443001 3.3 54.7 0.5
CD2 A:LEU238 3.5 41.9 1.0
C6' A:T443001 3.7 51.6 0.5
CE A:LYS199 3.8 39.6 1.0
C1' A:T443001 3.8 53.2 0.5
CG A:LEU238 3.9 44.3 1.0
CZ3 A:TRP214 4.1 58.0 1.0
C1 A:T443001 4.3 58.2 0.5
C5 A:T443001 4.4 57.6 0.5
CZ A:PHE211 4.4 46.6 1.0
CB A:ALA215 4.4 35.7 1.0
NE2 A:HIS242 4.5 38.2 1.0
CD1 A:LEU238 4.6 42.7 1.0
CE3 A:TRP214 4.6 55.3 1.0
CD2 A:HIS242 4.6 38.5 1.0
CD A:LYS199 4.7 37.9 1.0
CE1 A:PHE211 4.8 46.0 1.0
NZ A:LYS199 4.9 42.1 1.0
C6 A:T443001 4.9 57.8 0.5
C5' A:T443001 4.9 51.2 0.5
CA A:ALA215 4.9 37.0 1.0
CD2 A:LEU219 4.9 44.6 1.0

Iodine binding site 2 out of 16 in 1hk1

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Iodine binding site 2 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:58.3
occ:0.46
I3' A:T443001 0.0 58.3 0.5
C3' A:T443001 2.1 53.6 0.5
C2' A:T443001 3.0 53.6 0.5
C4' A:T443001 3.1 52.6 0.5
O4' A:T443001 3.3 52.7 0.5
NE A:ARG257 4.1 48.0 1.0
CD2 A:LEU260 4.1 49.1 1.0
C1' A:T443001 4.3 53.2 0.5
CG A:ARG257 4.3 43.8 1.0
C5' A:T443001 4.3 51.2 0.5
O A:SER287 4.5 56.2 1.0
NH2 A:ARG257 4.6 50.0 1.0
CG A:LEU260 4.7 46.1 1.0
CG2 A:ILE290 4.7 54.0 1.0
CD1 A:LEU238 4.8 42.7 1.0
CZ A:ARG257 4.8 48.4 1.0
CB A:ILE290 4.8 53.8 1.0
CD A:ARG257 4.9 45.1 1.0
C6' A:T443001 4.9 51.6 0.5
O A:ARG257 4.9 47.2 1.0

Iodine binding site 3 out of 16 in 1hk1

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Iodine binding site 3 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:60.3
occ:0.46
I5 A:T443001 0.0 60.3 0.5
C5 A:T443001 2.1 57.6 0.5
C6 A:T443001 3.0 57.8 0.5
C4 A:T443001 3.0 57.2 0.5
O4 A:T443001 3.2 54.7 0.5
O A:ILE290 3.2 49.5 1.0
C1' A:T443001 3.7 53.2 0.5
O A:ALA291 3.7 58.4 1.0
CA A:ALA291 3.8 56.1 1.0
C2' A:T443001 4.0 53.6 0.5
C A:ALA291 4.0 57.4 1.0
C A:ILE290 4.1 52.5 1.0
CD2 A:LEU219 4.3 44.6 1.0
CG2 A:VAL293 4.3 54.9 1.0
C1 A:T443001 4.4 58.2 0.5
C3 A:T443001 4.4 57.7 0.5
N A:ALA291 4.4 53.5 1.0
C6' A:T443001 4.5 51.6 0.5
CG A:ARG222 4.7 57.5 1.0
CG2 A:ILE290 4.7 54.0 1.0
CZ A:PHE223 4.7 43.2 1.0
C2 A:T443001 4.9 58.5 0.5
C3' A:T443001 5.0 53.6 0.5
CB A:ALA291 5.0 55.8 1.0

Iodine binding site 4 out of 16 in 1hk1

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Iodine binding site 4 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:47.9
occ:0.46
I5' A:T443001 0.0 47.9 0.5
C5' A:T443001 2.1 51.2 0.5
C4' A:T443001 3.0 52.6 0.5
C6' A:T443001 3.0 51.6 0.5
O4' A:T443001 3.2 52.7 0.5
CE2 A:TYR150 3.5 51.0 1.0
O A:HOH2006 3.6 53.8 1.0
CE1 A:HIS242 3.8 41.0 1.0
NE2 A:HIS242 3.9 38.2 1.0
CD2 A:TYR150 4.0 50.2 1.0
NZ A:LYS199 4.2 42.1 1.0
CZ A:TYR150 4.2 49.5 1.0
C3' A:T443001 4.4 53.6 0.5
C1' A:T443001 4.4 53.2 0.5
CE A:LYS199 4.4 39.6 1.0
CB A:ALA291 4.4 55.8 1.0
OH A:TYR150 4.5 51.0 1.0
NE2 A:GLN196 4.7 26.5 1.0
NH2 A:ARG257 4.8 50.0 1.0
C2' A:T443001 4.9 53.6 0.5
CG A:TYR150 5.0 48.6 1.0

Iodine binding site 5 out of 16 in 1hk1

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Iodine binding site 5 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:66.5
occ:0.58
I3 A:T443002 0.0 66.5 0.6
C3 A:T443002 2.1 66.6 0.6
C2 A:T443002 3.0 67.6 0.6
C4 A:T443002 3.1 66.4 0.6
CB A:ASN391 3.2 77.0 1.0
N A:ASN391 3.3 74.3 1.0
O4 A:T443002 3.4 65.4 0.6
O A:LEU387 3.4 63.5 1.0
CB A:GLN390 3.6 75.3 1.0
C1' A:T443002 3.6 64.4 0.6
CA A:ASN391 3.6 74.1 1.0
C A:GLN390 4.0 74.7 1.0
C6' A:T443002 4.1 64.8 0.6
OE1 A:GLN390 4.1 83.9 1.0
CG A:LEU387 4.2 60.2 1.0
C2' A:T443002 4.2 62.9 0.6
CG A:ASN391 4.2 80.6 1.0
C A:LEU387 4.3 63.5 1.0
C1 A:T443002 4.3 68.6 0.6
C5 A:T443002 4.4 67.0 0.6
CA A:GLN390 4.4 74.1 1.0
CD2 A:LEU387 4.5 60.4 1.0
CA A:LEU387 4.5 63.1 1.0
CG A:GLN390 4.7 78.7 1.0
O A:GLN390 4.7 75.5 1.0
CD A:GLN390 4.8 81.4 1.0
ND2 A:ASN391 4.8 79.7 1.0
OD1 A:ASN391 4.8 85.4 1.0
C6 A:T443002 4.9 68.2 0.6
CB A:LEU387 4.9 61.6 1.0
C5' A:T443002 4.9 63.3 0.6

Iodine binding site 6 out of 16 in 1hk1

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Iodine binding site 6 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:61.5
occ:0.58
I3' A:T443002 0.0 61.5 0.6
C3' A:T443002 2.1 62.1 0.6
C2' A:T443002 3.0 62.9 0.6
C4' A:T443002 3.1 62.4 0.6
O4' A:T443002 3.3 61.0 0.6
OH A:TYR411 3.8 65.8 1.0
CD1 A:LEU453 3.9 45.2 1.0
CD2 A:LEU453 3.9 46.6 1.0
C1' A:T443002 4.3 64.4 0.6
C5' A:T443002 4.3 63.3 0.6
CG A:LEU453 4.6 46.7 1.0
CD2 A:LEU387 4.6 60.4 1.0
CE1 A:TYR411 4.6 60.0 1.0
CZ A:TYR411 4.6 62.1 1.0
CD2 A:LEU407 4.8 45.0 1.0
C6' A:T443002 4.9 64.8 0.6
CD2 A:LEU430 4.9 40.2 1.0
ND2 A:ASN391 5.0 79.7 1.0
CD1 A:LEU430 5.0 39.8 1.0
OG A:SER489 5.0 49.6 1.0

Iodine binding site 7 out of 16 in 1hk1

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Iodine binding site 7 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:67.4
occ:0.58
I5 A:T443002 0.0 67.4 0.6
C5 A:T443002 2.1 67.0 0.6
C4 A:T443002 3.0 66.4 0.6
C6 A:T443002 3.1 68.2 0.6
O4 A:T443002 3.1 65.4 0.6
O A:ALA406 3.5 48.0 1.0
C A:ALA406 3.8 47.9 1.0
C1' A:T443002 3.8 64.4 0.6
CD A:ARG410 3.9 68.3 1.0
CB A:ARG410 3.9 57.3 1.0
CB A:ALA406 4.0 47.3 1.0
CD2 A:LEU407 4.1 45.0 1.0
N A:LEU407 4.1 45.8 1.0
C6' A:T443002 4.1 64.8 0.6
CG A:ARG410 4.1 62.6 1.0
CA A:LEU407 4.2 43.9 1.0
C3 A:T443002 4.3 66.6 0.6
C1 A:T443002 4.4 68.6 0.6
CA A:ALA406 4.5 47.5 1.0
CD2 A:LEU394 4.6 71.7 1.0
NH1 A:ARG410 4.6 76.0 1.0
NE A:ARG410 4.7 72.6 1.0
CG A:LEU407 4.7 44.7 1.0
C2' A:T443002 4.8 62.9 0.6
C2 A:T443002 4.9 67.6 0.6
CZ A:ARG410 5.0 74.6 1.0

Iodine binding site 8 out of 16 in 1hk1

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Iodine binding site 8 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:67.5
occ:0.58
I5' A:T443002 0.0 67.5 0.6
C5' A:T443002 2.1 63.3 0.6
C6' A:T443002 3.0 64.8 0.6
C4' A:T443002 3.0 62.4 0.6
O4' A:T443002 3.2 61.0 0.6
O A:SER489 3.5 51.5 1.0
NZ A:LYS414 3.7 38.6 1.0
CA A:SER489 4.0 47.9 1.0
NE A:ARG410 4.0 72.6 1.0
C A:SER489 4.2 50.8 1.0
NH2 A:ARG410 4.3 75.8 1.0
CB A:SER489 4.3 47.5 1.0
C1' A:T443002 4.3 64.4 0.6
C3' A:T443002 4.4 62.1 0.6
CE A:LYS414 4.5 42.1 1.0
OG A:SER489 4.5 49.6 1.0
CZ A:ARG410 4.5 74.6 1.0
CG A:ARG410 4.7 62.6 1.0
C2' A:T443002 4.9 62.9 0.6
CD A:ARG410 4.9 68.3 1.0

Iodine binding site 9 out of 16 in 1hk1

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Iodine binding site 9 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3003

b:54.3
occ:1.00
I3 A:T443003 0.0 54.3 1.0
C3 A:T443003 2.1 50.5 1.0
C4 A:T443003 3.1 53.5 1.0
C2 A:T443003 3.1 50.7 1.0
O4 A:T443003 3.2 51.6 1.0
O A:LYS524 3.5 40.0 1.0
C1' A:T443003 3.6 48.8 1.0
CB A:LYS524 3.9 47.0 1.0
C A:LYS524 3.9 41.8 1.0
CA A:LYS524 4.0 44.6 1.0
C2' A:T443003 4.0 48.8 1.0
CD A:LYS524 4.1 51.9 1.0
C6' A:T443003 4.2 49.8 1.0
N A:ALA528 4.2 39.3 1.0
CB A:THR527 4.3 39.8 1.0
C5 A:T443003 4.3 57.0 1.0
CB A:ALA528 4.4 41.4 1.0
CG2 A:THR527 4.4 37.2 1.0
C1 A:T443003 4.4 52.7 1.0
CA A:ALA528 4.6 40.3 1.0
CG A:LYS524 4.6 50.8 1.0
CD2 A:PHE507 4.8 56.4 1.0
CE2 A:PHE507 4.8 56.4 1.0
C6 A:T443003 4.9 55.1 1.0
O A:THR506 4.9 61.0 1.0
N A:LYS525 4.9 40.4 1.0
C A:THR527 4.9 38.2 1.0
C3' A:T443003 4.9 50.1 1.0

Iodine binding site 10 out of 16 in 1hk1

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Iodine binding site 10 out of 16 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L- Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3003

b:54.0
occ:1.00
I3' A:T443003 0.0 54.0 1.0
C3' A:T443003 2.1 50.1 1.0
C2' A:T443003 3.0 48.8 1.0
C4' A:T443003 3.1 49.4 1.0
O4' A:T443003 3.2 50.7 1.0
CG1 A:ILE513 3.8 67.9 1.0
CD1 A:ILE513 4.2 67.7 1.0
CB A:LYS524 4.3 47.0 1.0
O A:ILE513 4.3 65.6 1.0
C1' A:T443003 4.3 48.8 1.0
C5' A:T443003 4.4 50.6 1.0
CG2 A:VAL555 4.4 66.2 1.0
CG1 A:VAL555 4.6 67.1 1.0
CG A:LYS524 4.6 50.8 1.0
CD1 A:LEU516 4.7 63.2 1.0
CG A:ARG521 4.8 53.0 1.0
O A:ARG521 4.9 47.0 1.0
C6' A:T443003 4.9 49.8 1.0
CA A:ARG521 4.9 48.3 1.0

Reference:

I.Petitpas, C.E.Petersen, C.E.Ha, A.A.Bhattacharya, P.A.Zunszain, J.Ghuman, N.V.Bhagavan, S.Curry. Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia Proc.Natl.Acad.Sci.Usa V. 100 6440 2003.
ISSN: ISSN 0027-8424
PubMed: 12743361
DOI: 10.1073/PNAS.1137188100
Page generated: Sun Dec 13 19:19:48 2020

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