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Arsenic in PDB 2h79: Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group

Protein crystallography data

The structure of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group, PDB code: 2h79 was solved by A.S.Nascimento, S.M.G.Dias, F.M.Nunes, R.Aparicio, L.Bleicher, A.L.B.Ambrosio, A.C.M.Figueira, M.A.M.Santos, M.O.Neto, H.Fischer, H.F.M.Togashi, A.F.Craievich, R.C.Garrat, J.D.Baxter, P.Webb, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.25 / 1.87
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 59.981, 80.795, 102.211, 90.00, 90.00, 90.00
R / Rfree (%) 14.9 / 18.7

Other elements in 2h79:

The structure of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group also contains other interesting chemical elements:

Iodine (I) 3 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group (pdb code 2h79). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group, PDB code: 2h79:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in 2h79

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Arsenic binding site 1 out of 6 in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As244

b:23.2
occ:0.70
AS A:CAS244 0.0 23.2 0.7
CE2 A:CAS244 2.0 19.0 0.7
CE1 A:CAS244 2.0 23.0 0.7
SG A:CAS244 2.3 19.6 0.7
CB A:CAS244 3.3 20.4 1.0
NE2 A:GLN247 3.6 14.5 1.0
O A:HOH767 3.6 53.9 1.0
CA A:CAS244 3.6 18.7 1.0
N A:CAS244 4.1 16.6 1.0
O A:HOH479 4.1 35.9 1.0
CD A:GLN247 4.1 19.4 1.0
SG A:CAS244 4.1 25.8 0.3
O A:HOH615 4.2 45.6 1.0
OE1 A:GLN247 4.3 15.2 1.0
O A:LEU242 4.7 13.5 1.0
C A:PRO243 4.9 14.7 1.0

Arsenic binding site 2 out of 6 in 2h79

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Arsenic binding site 2 out of 6 in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As244

b:36.5
occ:0.30
AS A:CAS244 0.0 36.5 0.3
CE1 A:CAS244 2.0 30.1 0.3
CE2 A:CAS244 2.0 29.5 0.3
SG A:CAS244 2.2 25.8 0.3
CB A:CAS244 3.2 20.4 1.0
C A:CAS244 3.6 17.4 1.0
O A:HOH787 3.6 95.3 1.0
N A:GLU245 3.7 15.8 1.0
OE1 A:GLU245 3.7 26.4 1.0
CD A:GLU245 3.8 27.5 1.0
O A:HOH489 3.8 44.5 1.0
O A:CAS244 3.8 17.6 1.0
CG A:GLU245 3.9 20.4 1.0
CA A:GLU245 4.0 17.0 1.0
CA A:CAS244 4.1 18.7 1.0
CG1 A:ILE248 4.2 27.6 1.0
OE2 A:GLU245 4.4 19.6 1.0
CB A:GLU245 4.7 17.4 1.0
SG A:CAS244 4.7 19.6 0.7
CD1 A:ILE248 4.8 38.2 1.0
O A:HOH486 4.9 47.7 1.0

Arsenic binding site 3 out of 6 in 2h79

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Arsenic binding site 3 out of 6 in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As334

b:34.4
occ:1.00
AS A:CAS334 0.0 34.4 1.0
CE1 A:CAS334 1.5 2.0 1.0
CE2 A:CAS334 2.0 29.1 1.0
SG A:CAS334 2.3 18.5 1.0
CB A:CAS334 3.3 15.5 1.0
CA A:CAS334 3.5 17.8 1.0
O A:HOH514 3.7 30.4 1.0
CG A:LEU333 4.1 17.2 0.5
CD2 A:LEU333 4.2 14.1 0.5
O A:HOH830 4.2 69.9 1.0
N A:CAS334 4.3 15.6 1.0
O A:LEU333 4.5 20.5 1.0
C A:LEU333 4.6 19.5 1.0
C A:CAS334 4.8 16.9 1.0

Arsenic binding site 4 out of 6 in 2h79

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Arsenic binding site 4 out of 6 in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As380

b:44.1
occ:1.00
AS A:CAS380 0.0 44.1 1.0
CE1 A:CAS380 1.9 46.0 1.0
CE2 A:CAS380 2.0 37.1 1.0
SG A:CAS380 2.4 30.3 1.0
CB A:CAS380 3.0 23.0 1.0
CB A:ALA298 4.2 20.5 1.0
O A:MET376 4.2 22.6 1.0
O A:HOH649 4.4 48.0 1.0
CA A:CAS380 4.5 23.0 1.0
O A:HOH774 4.6 56.4 1.0
CG2 A:VAL295 4.6 21.6 1.0
CA A:VAL295 4.7 19.4 1.0
CA A:ILE377 4.7 19.7 1.0
O A:VAL294 4.7 19.4 1.0
C A:MET376 4.8 20.6 1.0
O A:HOH634 4.9 28.1 0.5
CG2 A:VAL294 4.9 24.1 1.0
N A:VAL295 5.0 18.9 1.0
N A:ILE377 5.0 18.8 1.0

Arsenic binding site 5 out of 6 in 2h79

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Arsenic binding site 5 out of 6 in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As388

b:32.7
occ:0.50
AS A:CAS388 0.0 32.7 0.5
CE1 A:CAS388 1.9 11.0 0.5
CE2 A:CAS388 1.9 15.3 0.5
SG A:CAS388 2.2 28.6 0.5
CB A:CAS388 2.7 18.2 1.0
CE1 A:PHE215 3.9 21.9 1.0
CA A:PHE385 4.0 19.9 1.0
CD1 A:PHE385 4.1 21.6 1.0
CA A:CAS388 4.1 20.6 1.0
O A:ARG384 4.4 21.7 1.0
CE2 A:PHE397 4.5 22.4 1.0
CZ A:PHE215 4.6 19.3 1.0
O A:GLY291 4.6 21.2 1.0
O1 A:T31 4.6 18.0 1.0
CB A:PHE385 4.7 21.3 1.0
N A:PHE385 4.7 19.6 1.0
N A:CAS388 4.7 17.1 1.0
O A:PHE385 4.7 21.3 1.0
CG A:PHE385 4.7 22.2 1.0
C A:ARG384 4.7 20.8 1.0
CZ A:PHE401 4.7 22.7 1.0
CE1 A:PHE385 4.8 25.1 1.0
CD1 A:PHE215 4.8 19.3 1.0
C A:PHE385 4.9 21.9 1.0

Arsenic binding site 6 out of 6 in 2h79

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Arsenic binding site 6 out of 6 in the Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Crystal Structure of Human Tr Alpha Bound T3 in Orthorhombic Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As392

b:30.1
occ:1.00
AS A:CAS392 0.0 30.1 1.0
CE1 A:CAS392 1.8 12.2 1.0
CE2 A:CAS392 2.0 24.0 1.0
SG A:CAS392 2.3 19.9 1.0
CB A:CAS392 3.2 14.5 1.0
CD2 A:LEU212 3.7 20.8 1.0
CG1 A:VAL210 4.0 17.6 1.0
CB A:VAL210 4.3 16.2 1.0
CG1 A:VAL202 4.3 19.3 1.0
CA A:CAS392 4.6 17.2 1.0
CG2 A:VAL210 4.7 16.8 1.0
CB A:VAL202 4.7 15.5 1.0
O A:CAS388 4.9 20.8 1.0
N A:CAS392 4.9 16.5 1.0

Reference:

A.S.Nascimento, S.M.G.Dias, F.M.Nunes, R.Aparicio, A.L.B.Ambrosio, L.Bleicher, A.C.M.Figueira, M.A.M.Santos, M.O.Neto, H.Fischer, M.Togashi, A.F.Craievich, R.C.Garratt, J.D.Baxter, P.Webb, I.Polikarpov. Structural Rearrangements in the Thyroid Hormone Receptor Hinge Domain and Their Putative Role in the Receptor Function. J.Mol.Biol. V. 360 586 2006.
ISSN: ISSN 0022-2836
PubMed: 16781732
DOI: 10.1016/J.JMB.2006.05.008
Page generated: Sat Dec 12 01:38:05 2020

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