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Chlorine in PDB 1xvp: Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco

Protein crystallography data

The structure of Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco, PDB code: 1xvp was solved by R.X.Xu, M.H.Lambert, B.B.Wisely, E.N.Warren, E.E.Weinert, G.M.Waitt, J.D.Williams, L.B.Moore, T.M.Willson, J.T.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.60
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 128.020, 128.020, 212.175, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 23.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco (pdb code 1xvp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco, PDB code: 1xvp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1xvp

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Chlorine binding site 1 out of 6 in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1003

b:0.0
occ:0.50
 CL26 D:CID1003 0.0 0.0 0.5
CL26 D:CID1003 0.5 0.0 0.5
C23 D:CID1003 1.8 0.0 0.5
C23 D:CID1003 1.8 0.0 0.5
C25 D:CID1003 2.6 0.0 0.5
C21 D:CID1003 2.8 0.0 0.5
CL27 D:CID1003 2.8 0.0 0.5
C25 D:CID1003 2.8 0.0 0.5
C21 D:CID1003 3.0 0.0 0.5
CL27 D:CID1003 3.3 0.0 0.5
O D:THR225 3.5 61.1 1.0
CB D:TYR224 3.7 60.3 1.0
CZ D:PHE243 3.8 76.2 1.0
CL19 D:CID1003 3.8 0.0 0.5
C12 D:CID1003 3.9 0.0 0.5
CL19 D:CID1003 3.9 0.0 0.5
C D:THR225 3.9 61.4 1.0
C24 D:CID1003 3.9 0.0 0.5
CE1 D:PHE243 4.0 75.8 1.0
C13 D:CID1003 4.0 0.0 0.5
N D:THR225 4.0 61.8 1.0
C D:TYR224 4.1 62.2 1.0
C20 D:CID1003 4.1 0.0 0.5
C24 D:CID1003 4.1 0.0 0.5
CD1 D:PHE217 4.2 79.1 1.0
C20 D:CID1003 4.3 0.0 0.5
CE1 D:PHE217 4.3 77.4 1.0
C17 D:CID1003 4.3 0.0 0.5
CA D:THR225 4.4 61.6 1.0
O D:TYR224 4.4 62.3 1.0
C17 D:CID1003 4.4 0.0 0.5
CA D:TYR224 4.5 62.5 1.0
C22 D:CID1003 4.6 0.0 0.5
N D:ILE226 4.6 61.8 1.0
C22 D:CID1003 4.6 0.0 0.5
CG D:TYR224 4.8 58.6 1.0
C7 D:CID1003 5.0 0.0 0.5
CA D:ILE226 5.0 63.4 1.0

Chlorine binding site 2 out of 6 in 1xvp

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Chlorine binding site 2 out of 6 in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1003

b:0.0
occ:0.50
 CL26 D:CID1003 0.0 0.0 0.5
CL26 D:CID1003 0.5 0.0 0.5
C23 D:CID1003 1.8 0.0 0.5
C23 D:CID1003 1.8 0.0 0.5
C21 D:CID1003 2.6 0.0 0.5
C21 D:CID1003 2.8 0.0 0.5
C25 D:CID1003 2.8 0.0 0.5
C25 D:CID1003 3.0 0.0 0.5
CL27 D:CID1003 3.2 0.0 0.5
CZ D:PHE243 3.7 76.2 1.0
CD1 D:PHE217 3.7 79.1 1.0
CB D:TYR224 3.7 60.3 1.0
CL27 D:CID1003 3.7 0.0 0.5
C12 D:CID1003 3.8 0.0 0.5
CE1 D:PHE217 3.8 77.4 1.0
O D:THR225 3.8 61.1 1.0
CE1 D:PHE243 3.9 75.8 1.0
C13 D:CID1003 3.9 0.0 0.5
C20 D:CID1003 4.0 0.0 0.5
CL19 D:CID1003 4.0 0.0 0.5
CL19 D:CID1003 4.1 0.0 0.5
C D:TYR224 4.1 62.2 1.0
C20 D:CID1003 4.1 0.0 0.5
C24 D:CID1003 4.1 0.0 0.5
N D:THR225 4.2 61.8 1.0
C D:THR225 4.2 61.4 1.0
O D:TYR224 4.3 62.3 1.0
C24 D:CID1003 4.3 0.0 0.5
C17 D:CID1003 4.4 0.0 0.5
C17 D:CID1003 4.5 0.0 0.5
CA D:TYR224 4.5 62.5 1.0
CA D:THR225 4.5 61.6 1.0
C22 D:CID1003 4.6 0.0 0.5
C22 D:CID1003 4.6 0.0 0.5
CG D:PHE217 4.7 78.4 1.0
CG D:TYR224 4.8 58.6 1.0
C7 D:CID1003 4.8 0.0 0.5
N D:ILE226 4.9 61.8 1.0
CE2 D:PHE243 4.9 75.6 1.0
CZ D:PHE217 4.9 78.3 1.0
C8 D:CID1003 5.0 0.0 0.5

Chlorine binding site 3 out of 6 in 1xvp

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Chlorine binding site 3 out of 6 in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1003

b:0.0
occ:0.50
 CL27 D:CID1003 0.0 0.0 0.5
CL27 D:CID1003 0.5 0.0 0.5
C25 D:CID1003 1.8 0.0 0.5
C25 D:CID1003 1.8 0.0 0.5
C24 D:CID1003 2.6 0.0 0.5
C24 D:CID1003 2.8 0.0 0.5
C23 D:CID1003 2.8 0.0 0.5
C23 D:CID1003 3.1 0.0 0.5
CL26 D:CID1003 3.3 0.0 0.5
N D:GLY229 3.3 58.6 1.0
C D:ASP228 3.4 59.1 1.0
CA D:GLY229 3.5 57.4 1.0
CB D:ASP228 3.6 61.6 1.0
O D:ASP228 3.6 58.5 1.0
CL26 D:CID1003 3.7 0.0 0.5
C22 D:CID1003 4.0 0.0 0.5
CL19 D:CID1003 4.0 0.0 0.5
CL19 D:CID1003 4.0 0.0 0.5
C22 D:CID1003 4.1 0.0 0.5
CA D:ASP228 4.1 59.6 1.0
C21 D:CID1003 4.1 0.0 0.5
O D:THR225 4.2 61.1 1.0
C21 D:CID1003 4.3 0.0 0.5
CG2 D:VAL232 4.4 62.3 1.0
C17 D:CID1003 4.5 0.0 0.5
C17 D:CID1003 4.5 0.0 0.5
C12 D:CID1003 4.6 0.0 0.5
C20 D:CID1003 4.6 0.0 0.5
C20 D:CID1003 4.7 0.0 0.5
C13 D:CID1003 4.7 0.0 0.5
C D:GLY229 4.8 57.2 1.0
CG D:ASP228 4.9 64.6 1.0
N D:ASP228 4.9 59.3 1.0

Chlorine binding site 4 out of 6 in 1xvp

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Chlorine binding site 4 out of 6 in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1003

b:0.0
occ:0.50
 CL27 D:CID1003 0.0 0.0 0.5
CL27 D:CID1003 0.5 0.0 0.5
C25 D:CID1003 1.8 0.0 0.5
C25 D:CID1003 1.8 0.0 0.5
C23 D:CID1003 2.5 0.0 0.5
C24 D:CID1003 2.8 0.0 0.5
CL26 D:CID1003 2.8 0.0 0.5
C23 D:CID1003 2.8 0.0 0.5
C24 D:CID1003 3.0 0.0 0.5
CL26 D:CID1003 3.2 0.0 0.5
N D:GLY229 3.2 58.6 1.0
CA D:GLY229 3.4 57.4 1.0
C D:ASP228 3.5 59.1 1.0
CB D:ASP228 3.6 61.6 1.0
CL19 D:CID1003 3.7 0.0 0.5
CL19 D:CID1003 3.7 0.0 0.5
O D:ASP228 3.8 58.5 1.0
O D:THR225 3.9 61.1 1.0
C21 D:CID1003 3.9 0.0 0.5
C22 D:CID1003 4.1 0.0 0.5
C21 D:CID1003 4.1 0.0 0.5
CA D:ASP228 4.2 59.6 1.0
C22 D:CID1003 4.2 0.0 0.5
C17 D:CID1003 4.2 0.0 0.5
C17 D:CID1003 4.3 0.0 0.5
C12 D:CID1003 4.4 0.0 0.5
C13 D:CID1003 4.5 0.0 0.5
C20 D:CID1003 4.6 0.0 0.5
C20 D:CID1003 4.6 0.0 0.5
N D:ASP228 4.8 59.3 1.0
C D:GLY229 4.9 57.2 1.0
CG2 D:VAL232 4.9 62.3 1.0
C D:THR225 4.9 61.4 1.0
CG D:ASP228 4.9 64.6 1.0
CB D:TYR224 5.0 60.3 1.0

Chlorine binding site 5 out of 6 in 1xvp

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Chlorine binding site 5 out of 6 in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1003

b:0.0
occ:0.50
 CL19 D:CID1003 0.0 0.0 0.5
CL19 D:CID1003 0.1 0.0 0.5
C17 D:CID1003 1.7 0.0 0.5
C17 D:CID1003 1.8 0.0 0.5
C13 D:CID1003 2.7 0.0 0.5
C12 D:CID1003 2.7 0.0 0.5
C12 D:CID1003 2.8 0.0 0.5
C13 D:CID1003 2.8 0.0 0.5
CD2 D:LEU239 3.5 54.8 1.0
CL27 D:CID1003 3.7 0.0 0.5
CL26 D:CID1003 3.8 0.0 0.5
CA D:GLY229 4.0 57.4 1.0
C8 D:CID1003 4.0 0.0 0.5
CL27 D:CID1003 4.0 0.0 0.5
CL26 D:CID1003 4.0 0.0 0.5
C7 D:CID1003 4.1 0.0 0.5
CE1 D:PHE243 4.1 75.8 1.0
C8 D:CID1003 4.1 0.0 0.5
C7 D:CID1003 4.1 0.0 0.5
CD2 D:LEU242 4.1 66.3 1.0
C25 D:CID1003 4.1 0.0 0.5
C23 D:CID1003 4.2 0.0 0.5
C23 D:CID1003 4.3 0.0 0.5
C25 D:CID1003 4.3 0.0 0.5
C3 D:CID1003 4.6 0.0 0.5
C3 D:CID1003 4.7 0.0 0.5
CD1 D:PHE243 4.7 75.3 1.0
N D:GLY229 4.7 58.6 1.0
CD1 D:PHE234 4.9 62.1 1.0
CG D:LEU239 5.0 59.1 1.0

Chlorine binding site 6 out of 6 in 1xvp

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Chlorine binding site 6 out of 6 in the Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Car/Rxr Heterodimer Bound with SRC1 Peptide, Fatty Acid and Citco within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1003

b:0.0
occ:0.50
 CL19 D:CID1003 0.0 0.0 0.5
CL19 D:CID1003 0.1 0.0 0.5
C17 D:CID1003 1.8 0.0 0.5
C17 D:CID1003 1.8 0.0 0.5
C13 D:CID1003 2.8 0.0 0.5
C12 D:CID1003 2.8 0.0 0.5
C13 D:CID1003 2.8 0.0 0.5
C12 D:CID1003 2.9 0.0 0.5
CD2 D:LEU239 3.4 54.8 1.0
CL27 D:CID1003 3.7 0.0 0.5
CL26 D:CID1003 3.9 0.0 0.5
CA D:GLY229 3.9 57.4 1.0
CL27 D:CID1003 4.0 0.0 0.5
CL26 D:CID1003 4.1 0.0 0.5
CE1 D:PHE243 4.1 75.8 1.0
C8 D:CID1003 4.1 0.0 0.5
C7 D:CID1003 4.1 0.0 0.5
CD2 D:LEU242 4.1 66.3 1.0
C8 D:CID1003 4.2 0.0 0.5
C25 D:CID1003 4.2 0.0 0.5
C7 D:CID1003 4.2 0.0 0.5
C23 D:CID1003 4.3 0.0 0.5
C23 D:CID1003 4.3 0.0 0.5
C25 D:CID1003 4.4 0.0 0.5
C3 D:CID1003 4.7 0.0 0.5
N D:GLY229 4.7 58.6 1.0
CD1 D:PHE243 4.7 75.3 1.0
C3 D:CID1003 4.7 0.0 0.5
CD1 D:PHE234 4.8 62.1 1.0
CG D:LEU239 4.9 59.1 1.0

Reference:

R.X.Xu, M.H.Lambert, B.B.Wisely, E.N.Warren, E.E.Weinert, G.M.Waitt, J.D.Williams, J.L.Collins, L.B.Moore, T.M.Willson, J.T.Moore. A Structural Basis For Constitutive Activity in the Human Car/Rxralpha Heterodimer. Mol.Cell V. 16 919 2004.
ISSN: ISSN 1097-2765
PubMed: 15610735
DOI: 10.1016/J.MOLCEL.2004.11.042
Page generated: Sat Dec 12 08:54:59 2020

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