Chlorine in PDB 5y3n: Structure of TRAP1 Complexed with DN401

Protein crystallography data

The structure of Structure of TRAP1 Complexed with DN401, PDB code: 5y3n was solved by H.Jeong, H.K.Park, S.Kang, B.H.Kang, C.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.71 / 2.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.410, 69.410, 252.159, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 25.7

Other elements in 5y3n:

The structure of Structure of TRAP1 Complexed with DN401 also contains other interesting chemical elements:

Bromine (Br) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of TRAP1 Complexed with DN401 (pdb code 5y3n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of TRAP1 Complexed with DN401, PDB code: 5y3n:

Chlorine binding site 1 out of 1 in 5y3n

Go back to Chlorine Binding Sites List in 5y3n
Chlorine binding site 1 out of 1 in the Structure of TRAP1 Complexed with DN401


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of TRAP1 Complexed with DN401 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:0.1
occ:1.00
CL1 A:8MF601 0.0 0.1 1.0
C01 A:8MF601 1.7 49.3 1.0
N02 A:8MF601 2.7 44.3 1.0
C06 A:8MF601 2.7 48.4 1.0
O A:ILE161 2.9 1.0 1.0
O A:GLY162 3.0 67.0 1.0
C09 A:8MF601 3.4 60.9 1.0
O A:HOH750 3.5 80.3 1.0
C A:GLY162 3.7 61.0 1.0
CG A:MET163 3.8 55.9 1.0
CB A:ALA123 3.8 52.4 1.0
CG2 A:ILE161 3.8 56.3 1.0
C A:ILE161 3.9 84.3 1.0
C03 A:8MF601 4.0 48.5 1.0
CZ A:PHE201 4.0 73.3 1.0
O A:HOH720 4.0 49.8 1.0
C05 A:8MF601 4.0 48.3 1.0
CA A:GLY162 4.2 63.3 1.0
CE2 A:PHE201 4.3 78.7 1.0
CE1 A:PHE201 4.4 86.4 1.0
N A:GLY162 4.4 58.2 1.0
N04 A:8MF601 4.5 48.0 1.0
N A:MET163 4.5 60.9 1.0
CA A:ALA123 4.7 62.5 1.0
N08 A:8MF601 4.7 71.5 1.0
OG1 A:THR251 4.8 60.0 1.0
CA A:MET163 4.9 61.4 1.0
SD A:MET163 4.9 66.4 1.0
CD2 A:PHE201 4.9 81.5 1.0
CB A:MET163 4.9 56.9 1.0
N07 A:8MF601 5.0 60.4 1.0
CA A:ILE161 5.0 72.2 1.0
CD1 A:PHE201 5.0 88.5 1.0

Reference:

H.K.Park, H.Jeong, E.Ko, G.Lee, J.E.Lee, S.K.Lee, A.J.Lee, J.Y.Im, S.Hu, S.H.Kim, J.H.Lee, C.Lee, S.Kang, B.H.Kang. Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors. J. Med. Chem. V. 60 7569 2017.
ISSN: ISSN 1520-4804
PubMed: 28816449
DOI: 10.1021/ACS.JMEDCHEM.7B00978
Page generated: Sat Dec 12 12:40:10 2020

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