Atomistry » Chlorine » PDB 7ckz-7cvj » 7cnl
Atomistry »
  Chlorine »
    PDB 7ckz-7cvj »
      7cnl »

Chlorine in PDB 7cnl: Crystal Structure of TEAD3 in Complex with VT105

Protein crystallography data

The structure of Crystal Structure of TEAD3 in Complex with VT105, PDB code: 7cnl was solved by T.T.Tang, A.W.Konradi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.37 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 150.808, 65.372, 123.016, 90, 90, 90
R / Rfree (%) 22.4 / 27.3

Other elements in 7cnl:

The structure of Crystal Structure of TEAD3 in Complex with VT105 also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of TEAD3 in Complex with VT105 (pdb code 7cnl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of TEAD3 in Complex with VT105, PDB code: 7cnl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7cnl

Go back to Chlorine Binding Sites List in 7cnl
Chlorine binding site 1 out of 4 in the Crystal Structure of TEAD3 in Complex with VT105


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 TEAD3 in Complex with VT105 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:73.7
occ:1.00
CB D:TYR350 3.6 71.7 1.0
CG D:TYR350 3.6 73.7 1.0
CE1 C:TYR350 3.8 69.4 1.0
CD1 C:TYR350 3.9 65.9 1.0
O A:LEU353 3.9 62.5 1.0
CD2 D:TYR350 4.0 72.6 1.0
CD1 D:TYR350 4.1 78.1 1.0
N A:ASN355 4.3 71.1 1.0
CA A:GLU354 4.3 71.2 1.0
CZ C:TYR350 4.4 70.4 1.0
C A:LEU353 4.5 65.1 1.0
CG C:TYR350 4.7 63.5 1.0
N A:GLU354 4.7 68.5 1.0
CE2 D:TYR350 4.7 77.7 1.0
CG A:LEU353 4.8 69.0 1.0
CE1 D:TYR350 4.8 77.9 1.0
C A:GLU354 4.9 72.2 1.0
OH C:TYR350 4.9 70.8 1.0
O D:ALA351 5.0 60.3 1.0

Chlorine binding site 2 out of 4 in 7cnl

Go back to Chlorine Binding Sites List in 7cnl
Chlorine binding site 2 out of 4 in the Crystal Structure of TEAD3 in Complex with VT105


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 TEAD3 in Complex with VT105 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:105.7
occ:1.00
OG1 A:THR333 3.6 58.9 1.0
CG1 A:VAL317 3.7 63.6 1.0
OH A:TYR230 3.7 75.0 1.0
CG2 A:THR333 3.7 60.2 1.0
C13 A:G9O501 3.8 97.8 1.0
CB A:THR333 4.0 59.7 1.0
C11 A:G9O501 4.0 87.2 1.0
O A:HOH602 4.1 52.3 1.0
CB A:VAL317 4.2 62.0 1.0
C12 A:G9O501 4.3 91.5 1.0
CG2 A:VAL317 4.4 62.9 1.0
CD A:LYS345 4.5 79.5 1.0
CZ A:TYR230 4.5 76.0 1.0
CE2 A:TYR230 4.7 79.0 1.0
NZ A:LYS345 4.9 89.4 1.0
OE2 A:GLU347 4.9 90.5 1.0

Chlorine binding site 3 out of 4 in 7cnl

Go back to Chlorine Binding Sites List in 7cnl
Chlorine binding site 3 out of 4 in the Crystal Structure of TEAD3 in Complex with VT105


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 TEAD3 in Complex with VT105 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:94.9
occ:1.00
CG B:GLU264 3.6 104.8 1.0
O B:VAL429 3.7 63.4 1.0
NE2 B:HIS428 3.7 100.6 1.0
CB B:GLU264 3.8 96.4 1.0
N B:GLU264 3.8 93.1 1.0
NE B:ARG218 3.9 118.7 1.0
N B:LEU263 3.9 102.1 1.0
CD B:GLU264 4.0 110.7 1.0
OE1 B:GLU264 4.1 115.7 1.0
NH1 B:ARG218 4.2 112.1 1.0
CD2 B:HIS428 4.2 95.1 1.0
CA B:GLU264 4.5 89.6 1.0
CZ B:ARG218 4.5 114.1 1.0
CB B:PRO262 4.5 109.1 1.0
CA B:PRO262 4.6 110.7 1.0
CG B:ARG218 4.6 113.9 1.0
C B:PRO262 4.7 107.4 1.0
C B:LEU263 4.7 100.4 1.0
CA B:LEU263 4.7 101.6 1.0
CD B:ARG218 4.8 116.4 1.0
CE1 B:HIS428 4.8 102.5 1.0
OE2 B:GLU264 4.9 115.2 1.0
CB B:LEU263 4.9 99.6 1.0
C B:VAL429 4.9 60.5 1.0

Chlorine binding site 4 out of 4 in 7cnl

Go back to Chlorine Binding Sites List in 7cnl
Chlorine binding site 4 out of 4 in the Crystal Structure of TEAD3 in Complex with VT105


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 TEAD3 in Complex with VT105 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:70.3
occ:1.00
CG B:TYR350 3.6 70.8 1.0
CB B:TYR350 3.7 71.2 1.0
CD1 B:TYR350 3.8 75.9 1.0
O C:LEU353 3.9 63.7 1.0
CE2 A:TYR350 3.9 66.5 1.0
CD2 B:TYR350 4.0 70.4 1.0
CD2 A:TYR350 4.0 65.6 1.0
CA C:GLU354 4.1 72.7 1.0
N C:ASN355 4.2 71.3 1.0
CE1 B:TYR350 4.4 77.3 1.0
C C:LEU353 4.4 65.4 1.0
N C:GLU354 4.5 67.1 1.0
CE2 B:TYR350 4.6 74.2 1.0
CZ A:TYR350 4.7 67.0 1.0
CZ B:TYR350 4.7 78.1 1.0
C C:GLU354 4.7 72.7 1.0
CG C:LEU353 4.8 72.4 1.0
CG A:TYR350 4.8 63.7 1.0

Reference:

T.T.Tang, A.W.Konradi, Y.Feng, X.Peng, M.Ma, J.Li, F.X.Yu, K.L.Guan, L.Post. Small Molecule Inhibitors of Tead Auto-Palmitoylation Selectively Inhibit Proliferation and Tumor Growth of NF2-Deficient Mesothelioma. Mol.Cancer Ther. 2021.
ISSN: ESSN 1538-8514
PubMed: 33850002
DOI: 10.1158/1535-7163.MCT-20-0717
Page generated: Mon Jul 29 19:49:18 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy