Atomistry » Iodine » PDB 1gjd-1lij » 1hk2
Atomistry »
  Iodine »
    PDB 1gjd-1lij »
      1hk2 »

Iodine in PDB 1hk2: Human Serum Albumin Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine)

Protein crystallography data

The structure of Human Serum Albumin Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine), PDB code: 1hk2 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) 34.14 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.942, 88.391, 59.992, 90.00, 103.00, 90.00
R / Rfree (%) 19 / 24.4

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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) (pdb code 1hk2). 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine), PDB code: 1hk2:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 1 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:52.9
occ:0.92
I3 A:T443001 0.0 52.9 0.9
C3 A:T443001 2.1 51.5 0.9
C2 A:T443001 3.0 53.3 0.9
C4 A:T443001 3.0 52.1 0.9
O4 A:T443001 3.2 51.2 0.9
C1' A:T443001 3.8 49.1 0.9
C6' A:T443001 3.8 49.1 0.9
CG A:LEU238 4.0 45.2 1.0
CD2 A:LEU238 4.1 42.9 1.0
CE A:LYS199 4.1 39.9 1.0
CB A:ALA215 4.2 36.3 1.0
CZ A:PHE211 4.3 44.4 1.0
C5 A:T443001 4.3 52.9 0.9
C1 A:T443001 4.4 53.6 0.9
CZ3 A:TRP214 4.5 43.8 1.0
NE2 A:HIS242 4.6 38.3 1.0
CD2 A:HIS242 4.7 40.1 1.0
CB A:LEU238 4.8 43.6 1.0
CA A:ALA215 4.8 37.3 1.0
CD A:LYS199 4.8 37.8 1.0
C2' A:T443001 4.9 51.7 0.9
C6 A:T443001 4.9 52.6 0.9
CE2 A:PHE211 4.9 44.7 1.0
C5' A:T443001 4.9 50.2 0.9
CD1 A:LEU238 5.0 42.2 1.0

Iodine binding site 2 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 2 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:57.2
occ:0.92
I3' A:T443001 0.0 57.2 0.9
C3' A:T443001 2.0 53.7 0.9
C4' A:T443001 3.0 53.2 0.9
C2' A:T443001 3.0 51.7 0.9
O4' A:T443001 3.1 52.5 0.9
NE A:ARG257 3.9 47.5 1.0
C5' A:T443001 4.2 50.2 0.9
C1' A:T443001 4.3 49.1 0.9
CG A:ARG257 4.3 44.3 1.0
CD2 A:LEU260 4.4 47.2 1.0
NH2 A:ARG257 4.4 49.3 1.0
CD1 A:LEU238 4.5 42.2 1.0
O A:SER287 4.6 58.8 1.0
CZ A:ARG257 4.7 47.5 1.0
CG2 A:ILE290 4.7 55.4 1.0
CB A:ILE290 4.7 55.2 1.0
C6' A:T443001 4.8 49.1 0.9
CD A:ARG257 4.8 44.5 1.0
CG A:LEU260 4.8 46.7 1.0
CD1 A:ILE264 4.9 39.4 1.0

Iodine binding site 3 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 3 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:53.5
occ:0.92
I5 A:T443001 0.0 53.5 0.9
C5 A:T443001 2.1 52.9 0.9
C4 A:T443001 3.0 52.1 0.9
C6 A:T443001 3.0 52.6 0.9
O4 A:T443001 3.1 51.2 0.9
O A:ILE290 3.3 50.8 1.0
C1' A:T443001 3.6 49.1 0.9
O A:ALA291 3.7 56.5 1.0
CA A:ALA291 4.0 53.3 1.0
C2' A:T443001 4.0 51.7 0.9
C A:ALA291 4.1 54.6 1.0
C A:ILE290 4.2 53.6 1.0
CD2 A:LEU219 4.3 47.6 1.0
C6' A:T443001 4.3 49.1 0.9
CG2 A:VAL293 4.3 53.0 1.0
C3 A:T443001 4.3 51.5 0.9
C1 A:T443001 4.4 53.6 0.9
NH2 A:ARG222 4.5 71.3 1.0
N A:ALA291 4.5 53.0 1.0
CZ A:ARG222 4.6 70.3 1.0
NE A:ARG222 4.8 68.3 1.0
C2 A:T443001 4.8 53.3 0.9
CG2 A:ILE290 4.9 55.4 1.0
CG A:ARG222 5.0 56.6 1.0
CZ A:PHE223 5.0 36.5 1.0
NH1 A:ARG222 5.0 68.6 1.0
C3' A:T443001 5.0 53.7 0.9

Iodine binding site 4 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 4 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3001

b:45.1
occ:0.92
I5' A:T443001 0.0 45.1 0.9
C5' A:T443001 2.0 50.2 0.9
C6' A:T443001 2.9 49.1 0.9
C4' A:T443001 3.0 53.2 0.9
O4' A:T443001 3.2 52.5 0.9
CE2 A:TYR150 3.7 48.7 1.0
NZ A:LYS199 3.9 42.6 1.0
CE1 A:HIS242 3.9 39.8 1.0
NE2 A:HIS242 4.0 38.3 1.0
CE A:LYS199 4.1 39.9 1.0
CZ A:TYR150 4.1 48.5 1.0
CD2 A:TYR150 4.2 48.6 1.0
OH A:TYR150 4.3 49.6 1.0
C3' A:T443001 4.3 53.7 0.9
C1' A:T443001 4.3 49.1 0.9
CB A:ALA291 4.4 52.4 1.0
NE2 A:GLN196 4.6 40.5 1.0
C2' A:T443001 4.8 51.7 0.9
CD A:LYS199 4.9 37.8 1.0
NH2 A:ARG257 4.9 49.3 1.0
O10 A:T443001 5.0 59.4 0.9

Iodine binding site 5 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 5 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:66.0
occ:0.52
I3 A:T443002 0.0 66.0 0.5
C3 A:T443002 2.1 67.0 0.5
N A:ASN391 3.1 76.5 1.0
C2 A:T443002 3.1 67.9 0.5
C4 A:T443002 3.1 66.5 0.5
O4 A:T443002 3.2 64.6 0.5
CB A:ASN391 3.2 79.6 1.0
O A:LEU387 3.3 63.0 1.0
CB A:GLN390 3.4 74.0 1.0
C1' A:T443002 3.5 62.0 0.5
CA A:ASN391 3.5 77.6 1.0
C A:GLN390 3.8 75.5 1.0
C6' A:T443002 4.0 61.1 0.5
CG A:ASN391 4.0 83.3 1.0
OE1 A:GLN390 4.0 83.3 1.0
C2' A:T443002 4.1 61.0 0.5
CG A:LEU387 4.2 59.8 1.0
CA A:GLN390 4.2 73.8 1.0
C A:LEU387 4.2 62.9 1.0
C5 A:T443002 4.4 67.5 0.5
C1 A:T443002 4.4 69.8 0.5
CA A:LEU387 4.4 62.5 1.0
ND2 A:ASN391 4.6 83.5 1.0
CD A:GLN390 4.6 80.7 1.0
CG A:GLN390 4.6 77.3 1.0
OD1 A:ASN391 4.6 86.6 1.0
CD2 A:LEU387 4.7 59.1 1.0
O A:GLN390 4.7 76.8 1.0
CB A:LEU387 4.8 61.2 1.0
C5' A:T443002 4.9 59.7 0.5
N A:GLN390 4.9 71.8 1.0
C3' A:T443002 4.9 59.7 0.5
C6 A:T443002 4.9 68.7 0.5

Iodine binding site 6 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 6 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:60.7
occ:0.52
I3' A:T443002 0.0 60.7 0.5
C3' A:T443002 2.0 59.7 0.5
C2' A:T443002 3.0 61.0 0.5
C4' A:T443002 3.0 59.0 0.5
O4' A:T443002 3.2 55.4 0.5
CD2 A:LEU453 3.9 49.3 1.0
OH A:TYR411 4.0 60.3 1.0
CD1 A:LEU453 4.1 50.1 1.0
C1' A:T443002 4.3 62.0 0.5
C5' A:T443002 4.3 59.7 0.5
CG A:LEU453 4.7 50.1 1.0
CZ A:TYR411 4.8 58.7 1.0
CE1 A:TYR411 4.8 58.4 1.0
C6' A:T443002 4.8 61.1 0.5
CD2 A:LEU407 4.8 51.6 1.0
ND2 A:ASN391 4.9 83.5 1.0
CD1 A:LEU430 4.9 47.0 1.0
CD2 A:LEU387 4.9 59.1 1.0
CD2 A:LEU430 5.0 47.7 1.0

Iodine binding site 7 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 7 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:67.0
occ:0.52
I5 A:T443002 0.0 67.0 0.5
C5 A:T443002 2.1 67.5 0.5
C4 A:T443002 3.0 66.5 0.5
C6 A:T443002 3.1 68.7 0.5
O4 A:T443002 3.2 64.6 0.5
O A:ALA406 3.7 51.7 1.0
CD2 A:LEU407 3.8 51.6 1.0
C A:ALA406 3.8 51.1 1.0
C1' A:T443002 3.9 62.0 0.5
N A:LEU407 4.0 51.0 1.0
CB A:ALA406 4.0 47.3 1.0
CB A:ARG410 4.0 51.1 1.0
C6' A:T443002 4.1 61.1 0.5
CA A:LEU407 4.1 50.2 1.0
C3 A:T443002 4.4 67.0 0.5
CD2 A:LEU394 4.4 76.6 1.0
C1 A:T443002 4.4 69.8 0.5
CA A:ALA406 4.5 48.9 1.0
CG A:LEU407 4.7 52.0 1.0
C2' A:T443002 4.8 61.0 0.5
C2 A:T443002 4.9 67.9 0.5
CB A:LEU407 5.0 51.6 1.0

Iodine binding site 8 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 8 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3002

b:61.2
occ:0.52
I5' A:T443002 0.0 61.2 0.5
C5' A:T443002 2.1 59.7 0.5
C6' A:T443002 2.9 61.1 0.5
C4' A:T443002 3.0 59.0 0.5
O4' A:T443002 3.3 55.4 0.5
NZ A:LYS414 3.4 46.0 1.0
O A:SER489 3.6 54.5 1.0
CA A:SER489 3.9 53.6 1.0
C A:SER489 4.2 54.8 1.0
CB A:SER489 4.2 54.0 1.0
C1' A:T443002 4.3 62.0 0.5
C3' A:T443002 4.3 59.7 0.5
OG A:SER489 4.4 55.5 1.0
CE A:LYS414 4.5 49.6 1.0
C2' A:T443002 4.8 61.0 0.5
OH A:TYR411 5.0 60.3 1.0

Iodine binding site 9 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 9 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3003

b:61.5
occ:1.00
I3 A:T443003 0.0 61.5 1.0
C3 A:T443003 2.1 59.4 1.0
C4 A:T443003 3.0 61.1 1.0
C2 A:T443003 3.1 61.5 1.0
O4 A:T443003 3.2 59.8 1.0
O A:LYS524 3.2 50.7 1.0
C1' A:T443003 3.6 57.8 1.0
C A:LYS524 3.9 51.3 1.0
CA A:LYS524 4.0 51.9 1.0
C2' A:T443003 4.0 57.1 1.0
CB A:LYS524 4.1 52.4 1.0
N A:ALA528 4.2 44.7 1.0
CB A:THR527 4.2 47.0 1.0
C6' A:T443003 4.2 57.6 1.0
CB A:ALA528 4.3 45.0 1.0
CG2 A:THR527 4.3 42.8 1.0
C5 A:T443003 4.3 65.1 1.0
C1 A:T443003 4.4 62.3 1.0
CD A:LYS524 4.4 52.7 1.0
CD2 A:PHE507 4.5 62.4 1.0
CA A:ALA528 4.5 44.3 1.0
CE2 A:PHE507 4.7 63.9 1.0
O A:THR506 4.8 69.1 1.0
CG A:LYS524 4.9 53.0 1.0
C6 A:T443003 4.9 64.1 1.0
C3' A:T443003 4.9 58.2 1.0
C A:THR527 4.9 46.0 1.0

Iodine binding site 10 out of 16 in 1hk2

Go back to Iodine Binding Sites List in 1hk2
Iodine binding site 10 out of 16 in the Human Serum Albumin Mutant R218H 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'- Tetraiodo-L-Thyronine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I3003

b:63.2
occ:1.00
I3' A:T443003 0.0 63.2 1.0
C3' A:T443003 2.1 58.2 1.0
C2' A:T443003 3.0 57.1 1.0
C4' A:T443003 3.1 58.4 1.0
O4' A:T443003 3.3 58.0 1.0
CG1 A:ILE513 3.9 70.7 1.0
CB A:LYS524 4.0 52.4 1.0
O A:ILE513 4.2 71.7 1.0
CD1 A:LEU516 4.3 65.5 1.0
CG2 A:VAL555 4.3 65.7 1.0
C1' A:T443003 4.3 57.8 1.0
C5' A:T443003 4.4 58.8 1.0
CD1 A:ILE513 4.4 69.0 1.0
CG A:LYS524 4.4 53.0 1.0
O A:ARG521 4.7 50.4 1.0
CG1 A:VAL555 4.8 67.6 1.0
CG A:ARG521 4.9 55.0 1.0
C6' A:T443003 4.9 57.6 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 Aug 11 12:15:13 2024

Last articles

Co in 6IZY
Co in 6ISD
Co in 6IU4
Co in 6IAV
Co in 6ICO
Co in 6IIY
Co in 6ICN
Co in 6I5N
Co in 6H08
Co in 6I5J
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy