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Chlorine in PDB 2p4y: Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator

Protein crystallography data

The structure of Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator, PDB code: 2p4y was solved by B.M.Mckeever, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.34 / 2.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 92.148, 59.859, 118.287, 90.00, 103.76, 90.00
R / Rfree (%) n/a / n/a

Other elements in 2p4y:

The structure of Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator (pdb code 2p4y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator, PDB code: 2p4y:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2p4y

Go back to Chlorine Binding Sites List in 2p4y
Chlorine binding site 1 out of 2 in the Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator


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 Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl478

b:21.0
occ:1.00
CL1 A:C03478 0.0 21.0 1.0
C31 A:C03478 1.7 29.5 1.0
C30 A:C03478 2.7 33.5 1.0
C24 A:C03478 2.8 32.8 1.0
C18 A:C03478 3.2 34.3 1.0
CG1 A:VAL339 3.6 28.7 1.0
CD1 A:LEU353 3.7 42.0 1.0
CE A:MET364 3.7 48.0 1.0
CD2 A:LEU353 3.8 39.7 1.0
C29 A:C03478 4.0 35.3 1.0
C27 A:C03478 4.1 33.7 1.0
SD A:MET348 4.2 40.6 1.0
SG A:CYS285 4.3 42.9 1.0
CG A:LEU353 4.3 41.3 1.0
CG2 A:ILE341 4.3 36.6 1.0
CG A:MET364 4.3 44.0 1.0
SD A:MET364 4.5 46.0 1.0
C28 A:C03478 4.6 38.0 1.0
N12 A:C03478 4.7 33.2 1.0
CB A:MET348 4.8 36.0 1.0
CG A:MET348 4.9 36.0 1.0
CG2 A:ILE281 4.9 48.2 1.0

Chlorine binding site 2 out of 2 in 2p4y

Go back to Chlorine Binding Sites List in 2p4y
Chlorine binding site 2 out of 2 in the Crystal Structure of Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator


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 Human Ppar-Gamma-Ligand Binding Domain Complexed with An Indole-Based Modulator within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl478

b:38.2
occ:1.00
CL1 B:C03478 0.0 38.2 1.0
C31 B:C03478 1.7 43.5 1.0
C30 B:C03478 2.7 45.2 1.0
C24 B:C03478 2.8 44.7 1.0
C18 B:C03478 3.3 42.5 1.0
CD1 B:LEU353 3.4 42.0 1.0
CG1 B:VAL339 3.5 35.2 1.0
CD2 B:LEU353 3.7 42.5 1.0
SD B:MET364 3.8 51.6 1.0
CG B:MET364 3.8 50.5 1.0
C29 B:C03478 4.0 48.1 1.0
C27 B:C03478 4.1 46.2 1.0
CG B:LEU353 4.1 44.9 1.0
SD B:MET348 4.4 49.5 1.0
SG B:CYS285 4.5 46.1 1.0
C28 B:C03478 4.6 50.7 1.0
N12 B:C03478 4.7 39.3 1.0
CG2 B:ILE341 4.8 35.7 1.0
CB B:VAL339 4.8 34.9 1.0
CB B:MET364 4.9 47.1 1.0

Reference:

M.Einstein, T.E.Akiyama, G.A.Castriota, C.F.Wang, B.Mckeever, R.T.Mosley, J.W.Becker, D.E.Moller, P.T.Meinke, H.B.Wood, J.P.Berger. The Differential Interactions of Peroxisome Proliferator-Activated Receptor Gamma Ligands with TYR473 Is A Physical Basis For Their Unique Biological Activities. Mol.Pharmacol. V. 73 62 2008.
ISSN: ISSN 0026-895X
PubMed: 17940191
DOI: 10.1124/MOL.107.041202
Page generated: Sat Dec 12 09:14:46 2020

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