Fluorine in PDB 5tbm: Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex

Protein crystallography data

The structure of Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 5tbm was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.89 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.400, 84.097, 41.401, 90.00, 106.24, 90.00
R / Rfree (%) 23.8 / 30

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 5tbm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 5tbm:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5tbm

Go back to Fluorine Binding Sites List in 5tbm
Fluorine binding site 1 out of 3 in the Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:33.9
occ:1.00
F1 A:79A401 0.0 33.9 1.0
C10 A:79A401 1.4 32.3 1.0
C5 A:79A401 2.4 35.2 1.0
C9 A:79A401 2.4 28.9 1.0
CE2 A:PHE244 3.2 33.4 1.0
CZ A:PHE244 3.3 32.8 1.0
ND2 A:ASN341 3.3 29.0 1.0
CG A:ASN341 3.4 28.9 1.0
OD1 A:ASN341 3.6 33.7 1.0
C6 A:79A401 3.6 32.4 1.0
C8 A:79A401 3.7 28.6 1.0
OG A:SER246 3.8 28.9 1.0
CB A:ASN341 4.0 30.5 1.0
C7 A:79A401 4.2 32.2 1.0
CZ A:PHE254 4.2 29.6 1.0
CE2 A:PHE254 4.2 33.0 1.0
CD1 A:LEU319 4.4 38.6 1.0
CD2 A:PHE244 4.4 32.6 1.0
CB A:SER246 4.5 27.8 1.0
OH A:TYR307 4.5 37.4 1.0
CE1 A:PHE244 4.6 32.9 1.0
C17 A:79A401 4.7 37.6 1.0
CD1 A:ILE261 4.8 28.7 1.0
SD A:MET309 4.8 40.2 1.0
O1 A:79A401 4.8 27.7 1.0

Fluorine binding site 2 out of 3 in 5tbm

Go back to Fluorine Binding Sites List in 5tbm
Fluorine binding site 2 out of 3 in the Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:39.3
occ:1.00
F3 A:79A401 0.0 39.3 1.0
C11 A:79A401 1.3 39.6 1.0
F2 A:79A401 2.1 36.9 1.0
C15 A:79A401 2.3 30.8 1.0
C12 A:79A401 2.5 31.9 1.0
O4 A:79A401 2.7 37.6 1.0
CE1 A:HIS293 3.4 49.2 1.0
ND1 A:HIS293 3.4 39.1 1.0
CD1 A:ILE337 3.4 28.5 1.0
C14 A:79A401 3.5 28.7 1.0
CG A:MET252 3.5 63.0 1.0
C13 A:79A401 3.6 32.1 1.0
CA A:MET252 3.6 48.4 1.0
CB A:MET252 3.8 51.4 1.0
CB A:HIS248 4.2 29.8 1.0
N A:MET252 4.3 50.8 1.0
CG2 A:ILE337 4.4 26.7 1.0
O A:SER249 4.4 35.7 1.0
CG A:HIS248 4.5 29.8 1.0
CB A:ILE337 4.5 30.8 1.0
CG1 A:ILE337 4.5 30.1 1.0
SD A:MET252 4.6 79.4 1.0
C A:MET252 4.7 40.0 1.0
NE2 A:HIS293 4.7 45.2 1.0
CG A:HIS293 4.7 44.4 1.0
O A:MET252 4.8 39.0 1.0
C1 A:79A401 4.8 28.3 1.0
O A:HOH502 4.8 50.8 1.0
ND1 A:HIS248 4.8 29.6 1.0
CD2 A:LEU296 4.9 43.3 1.0
C4 A:79A401 4.9 33.6 1.0

Fluorine binding site 3 out of 3 in 5tbm

Go back to Fluorine Binding Sites List in 5tbm
Fluorine binding site 3 out of 3 in the Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:36.9
occ:1.00
F2 A:79A401 0.0 36.9 1.0
C11 A:79A401 1.3 39.6 1.0
F3 A:79A401 2.1 39.3 1.0
C15 A:79A401 2.3 30.8 1.0
C12 A:79A401 2.3 31.9 1.0
CG2 A:ILE337 2.8 26.7 1.0
C14 A:79A401 3.0 28.7 1.0
C13 A:79A401 3.0 32.1 1.0
CB A:ILE337 3.4 30.8 1.0
SG A:CYS339 3.4 32.8 1.0
O4 A:79A401 3.5 37.6 1.0
CD1 A:ILE337 3.7 28.5 1.0
CG A:HIS248 3.7 29.8 1.0
CB A:HIS248 3.7 29.8 1.0
CD2 A:HIS248 3.8 29.6 1.0
CG1 A:ILE337 4.1 30.1 1.0
C1 A:79A401 4.1 28.3 1.0
C4 A:79A401 4.2 33.6 1.0
O2 A:79A401 4.4 35.9 1.0
ND1 A:HIS248 4.4 29.6 1.0
CD2 A:LEU296 4.5 43.3 1.0
O1 A:79A401 4.5 27.7 1.0
NE2 A:HIS248 4.6 29.4 1.0
CA A:ILE337 4.7 26.3 1.0
CE1 A:HIS248 4.9 24.6 1.0
O A:ILE337 4.9 27.6 1.0
C A:ILE337 4.9 30.3 1.0
ND1 A:HIS293 4.9 39.1 1.0

Reference:

E.M.Wallace, J.P.Rizzi, G.Han, P.M.Wehn, Z.Cao, X.Du, T.Cheng, R.M.Czerwinski, D.D.Dixon, B.S.Goggin, J.A.Grina, M.M.Halfmann, M.A.Maddie, S.R.Olive, S.T.Schlachter, H.Tan, B.Wang, K.Wang, S.Xie, R.Xu, H.Yang, J.A.Josey. A Small-Molecule Antagonist of HIF2 Alpha Is Efficacious in Preclinical Models of Renal Cell Carcinoma. Cancer Res. V. 76 5491 2016.
ISSN: ESSN 1538-7445
PubMed: 27635045
DOI: 10.1158/0008-5472.CAN-16-0473
Page generated: Sun Dec 13 12:37:51 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy