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Arsenic in PDB 3jzb: Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac

Protein crystallography data

The structure of Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac, PDB code: 3jzb was solved by A.S.Nascimento, S.M.G.Dias, F.M.Nunes, R.Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.18 / 2.01
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.020, 80.825, 102.355, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 19.9

Other elements in 3jzb:

The structure of Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac also contains other interesting chemical elements:

Iodine (I) 3 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac (pdb code 3jzb). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac, PDB code: 3jzb:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 3jzb

Go back to Arsenic Binding Sites List in 3jzb
Arsenic binding site 1 out of 4 in the Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac


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 Tr-Alfa Bound to the Selective Thyromimetic Triac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As244

b:39.6
occ:1.00
AS A:CAS244 0.0 39.6 1.0
CE2 A:CAS244 2.0 39.2 1.0
CE1 A:CAS244 2.0 32.3 1.0
SG A:CAS244 2.3 32.4 1.0
CB A:CAS244 3.4 26.1 1.0
CA A:CAS244 3.6 28.4 1.0
NE2 A:GLN247 3.6 22.4 1.0
N A:CAS244 4.0 25.6 1.0
CD A:GLN247 4.1 23.4 1.0
O A:HOH509 4.2 36.3 1.0
OE1 A:GLN247 4.3 21.1 1.0
O A:LEU242 4.8 21.6 1.0
C A:PRO243 4.9 24.9 1.0
C A:CAS244 5.0 25.5 1.0

Arsenic binding site 2 out of 4 in 3jzb

Go back to Arsenic Binding Sites List in 3jzb
Arsenic binding site 2 out of 4 in the Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac


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 Tr-Alfa Bound to the Selective Thyromimetic Triac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As334

b:45.6
occ:1.00
AS A:CAS334 0.0 45.6 1.0
CE1 A:CAS334 1.9 20.5 1.0
CE2 A:CAS334 2.0 42.5 1.0
SG A:CAS334 2.3 26.0 1.0
CB A:CAS334 3.2 19.9 1.0
CA A:CAS334 3.6 25.1 1.0
O A:HOH415 3.7 27.6 1.0
N A:CAS334 4.2 27.1 1.0
CG A:LEU333 4.3 44.5 1.0
CD2 A:LEU333 4.4 44.5 1.0
C A:LEU333 4.6 30.8 1.0
O A:LEU333 4.6 34.2 1.0
C A:CAS334 4.9 25.0 1.0

Arsenic binding site 3 out of 4 in 3jzb

Go back to Arsenic Binding Sites List in 3jzb
Arsenic binding site 3 out of 4 in the Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac


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 Tr-Alfa Bound to the Selective Thyromimetic Triac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As380

b:48.5
occ:1.00
AS A:CAS380 0.0 48.5 1.0
CE1 A:CAS380 2.0 47.9 1.0
CE2 A:CAS380 2.0 41.3 1.0
SG A:CAS380 2.3 39.5 1.0
CB A:CAS380 3.1 24.5 1.0
CB A:ALA298 4.2 23.6 1.0
O A:MET376 4.2 26.0 1.0
O A:HOH546 4.6 49.0 1.0
CA A:CAS380 4.6 27.6 1.0
CG2 A:VAL295 4.6 30.5 1.0
CA A:VAL295 4.6 29.9 1.0
CA A:ILE377 4.7 25.3 1.0
O A:HOH632 4.7 54.1 1.0
CG2 A:VAL294 4.8 40.1 1.0
C A:MET376 4.8 29.7 1.0
O A:VAL294 4.8 29.5 1.0
N A:VAL295 4.9 30.6 1.0

Arsenic binding site 4 out of 4 in 3jzb

Go back to Arsenic Binding Sites List in 3jzb
Arsenic binding site 4 out of 4 in the Crystal Structure of Tr-Alfa Bound to the Selective Thyromimetic Triac


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 Tr-Alfa Bound to the Selective Thyromimetic Triac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As392

b:41.9
occ:1.00
AS A:CAS392 0.0 41.9 1.0
CE2 A:CAS392 1.9 9.5 0.5
CE2 A:CAS392 1.9 5.0 0.5
CE1 A:CAS392 2.0 32.0 0.5
CE1 A:CAS392 2.0 13.9 0.5
SG A:CAS392 2.2 31.8 1.0
CB A:CAS392 3.3 28.4 1.0
CD2 A:LEU212 3.8 34.1 1.0
CG1 A:VAL210 4.2 26.8 1.0
CG1 A:VAL202 4.3 28.2 1.0
CB A:VAL210 4.4 24.9 1.0
CA A:CAS392 4.6 27.5 1.0
CB A:VAL202 4.7 29.0 1.0
CG2 A:VAL210 4.8 23.4 1.0
N A:CAS392 4.9 29.0 1.0
O A:MET388 4.9 29.0 1.0
CD1 A:LEU396 4.9 30.9 1.0
CG2 A:VAL202 4.9 27.7 1.0

Reference:

L.Martinez, A.S.Nascimento, F.M.Nunes, K.Phillips, R.Aparicio, S.M.Dias, A.C.Figueira, J.H.Lin, P.Nguyen, J.W.Apriletti, F.A.Neves, J.D.Baxter, P.Webb, M.S.Skaf, I.Polikarpov. Gaining Ligand Selectivity in Thyroid Hormone Receptors Via Entropy. Proc.Natl.Acad.Sci.Usa V. 106 20717 2009.
ISSN: ISSN 0027-8424
PubMed: 19926848
DOI: 10.1073/PNAS.0911024106
Page generated: Wed Jul 10 11:45:34 2024

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