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Fluorine in PDB 6x2h: Crystal Structure of PT2863 Bound to HIF2A-B*:Arnt-B* Complex

Protein crystallography data

The structure of Crystal Structure of PT2863 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x2h was solved by X.Du, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.04 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.045, 84.443, 41.473, 90, 106.73, 90
R / Rfree (%) 20 / 25.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of PT2863 Bound to HIF2A-B*:Arnt-B* Complex (pdb code 6x2h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Crystal Structure of PT2863 Bound to HIF2A-B*:Arnt-B* Complex, PDB code: 6x2h:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 6x2h

Go back to Fluorine Binding Sites List in 6x2h
Fluorine binding site 1 out of 5 in the Crystal Structure of PT2863 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 PT2863 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:24.9
occ:1.00
 F2 A:ULD401 0.0 24.9 1.0
C5 A:ULD401 1.3 28.2 1.0
F1 A:ULD401 2.1 28.9 1.0
C9 A:ULD401 2.4 24.7 1.0
C6 A:ULD401 2.4 25.9 1.0
O1 A:ULD401 2.6 29.8 1.0
CD1 A:ILE337 3.5 22.1 1.0
CA A:MET252 3.5 26.3 1.0
C8 A:ULD401 3.5 23.8 1.0
CG A:MET252 3.6 31.7 1.0
C7 A:ULD401 3.6 26.6 1.0
CE1 A:HIS293 3.7 27.1 1.0
ND1 A:HIS293 3.8 28.9 1.0
CB A:HIS248 3.8 17.3 1.0
CB A:MET252 3.8 28.0 1.0
CG A:HIS248 4.1 19.6 1.0
N A:MET252 4.2 25.6 1.0
O A:SER249 4.4 20.4 1.0
C A:MET252 4.5 22.9 1.0
CE A:MET252 4.5 35.1 1.0
ND1 A:HIS248 4.5 16.8 1.0
CG2 A:ILE337 4.6 20.1 1.0
O A:MET252 4.6 23.6 1.0
CG1 A:ILE337 4.6 24.4 1.0
CB A:ILE337 4.6 22.4 1.0
CD2 A:HIS248 4.8 17.4 1.0
C2 A:ULD401 4.8 21.2 1.0
SD A:MET252 4.9 38.1 1.0
C1 A:ULD401 5.0 28.1 1.0

Fluorine binding site 2 out of 5 in 6x2h

Go back to Fluorine Binding Sites List in 6x2h
Fluorine binding site 2 out of 5 in the Crystal Structure of PT2863 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 PT2863 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:28.9
occ:1.00
 F1 A:ULD401 0.0 28.9 1.0
C5 A:ULD401 1.3 28.2 1.0
F2 A:ULD401 2.1 24.9 1.0
C6 A:ULD401 2.3 25.9 1.0
C9 A:ULD401 2.4 24.7 1.0
C8 A:ULD401 3.0 23.8 1.0
CG2 A:ILE337 3.0 20.1 1.0
C7 A:ULD401 3.1 26.6 1.0
SG A:CYS339 3.2 22.4 1.0
O1 A:ULD401 3.4 29.8 1.0
CB A:ILE337 3.6 22.4 1.0
CD1 A:ILE337 3.6 22.1 1.0
CG A:HIS248 3.8 19.6 1.0
CB A:HIS248 3.8 17.3 1.0
CD2 A:HIS248 3.8 17.4 1.0
F3 A:ULD401 4.1 32.0 1.0
C2 A:ULD401 4.2 21.2 1.0
CG1 A:ILE337 4.2 24.4 1.0
C1 A:ULD401 4.3 28.1 1.0
ND1 A:HIS248 4.6 16.8 1.0
CD2 A:LEU296 4.6 29.9 1.0
NE2 A:HIS248 4.6 17.7 1.0
O4 A:ULD401 4.7 19.5 1.0
O A:ILE337 4.9 21.2 1.0
CA A:ILE337 4.9 20.8 1.0
O3 A:ULD401 5.0 29.8 1.0
CB A:CYS339 5.0 19.1 1.0

Fluorine binding site 3 out of 5 in 6x2h

Go back to Fluorine Binding Sites List in 6x2h
Fluorine binding site 3 out of 5 in the Crystal Structure of PT2863 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 PT2863 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:32.0
occ:1.00
 F3 A:ULD401 0.0 32.0 1.0
C10 A:ULD401 1.3 33.3 1.0
F4 A:ULD401 2.1 41.4 1.0
F5 A:ULD401 2.2 31.1 1.0
S1 A:ULD401 2.4 31.6 1.0
C1 A:ULD401 2.8 28.1 1.0
O3 A:ULD401 2.9 29.8 1.0
C7 A:ULD401 3.2 26.6 1.0
CD2 A:LEU296 3.2 29.9 1.0
C6 A:ULD401 3.4 25.9 1.0
CA A:GLY323 3.4 21.2 1.0
O2 A:ULD401 3.6 32.6 1.0
C4 A:ULD401 3.8 23.5 1.0
N A:GLY323 4.0 20.5 1.0
F1 A:ULD401 4.1 28.9 1.0
CG A:LEU296 4.2 28.8 1.0
SG A:CYS339 4.3 22.4 1.0
CD1 A:LEU296 4.3 28.1 1.0
C8 A:ULD401 4.4 23.8 1.0
O1 A:ULD401 4.4 29.8 1.0
C5 A:ULD401 4.4 28.2 1.0
CG2 A:THR321 4.5 22.6 1.0
C A:GLY323 4.5 24.4 1.0
CG2 A:ILE337 4.6 20.1 1.0
CB A:LEU296 4.6 30.8 1.0
O A:VAL302 4.8 36.0 1.0
C3 A:ULD401 4.8 21.5 1.0
C A:GLN322 4.8 25.0 1.0

Fluorine binding site 4 out of 5 in 6x2h

Go back to Fluorine Binding Sites List in 6x2h
Fluorine binding site 4 out of 5 in the Crystal Structure of PT2863 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 4 of Crystal Structure of PT2863 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:41.4
occ:1.00
 F4 A:ULD401 0.0 41.4 1.0
C10 A:ULD401 1.3 33.3 1.0
F3 A:ULD401 2.1 32.0 1.0
F5 A:ULD401 2.2 31.1 1.0
S1 A:ULD401 2.5 31.6 1.0
O2 A:ULD401 3.0 32.6 1.0
O3 A:ULD401 3.0 29.8 1.0
CG1 A:VAL302 3.1 39.2 1.0
O A:VAL302 3.6 36.0 1.0
CB A:VAL302 3.7 36.1 1.0
C1 A:ULD401 3.9 28.1 1.0
CD2 A:LEU296 3.9 29.9 1.0
CB A:LEU296 4.0 30.8 1.0
C A:VAL302 4.0 36.2 1.0
CD1 A:LEU296 4.0 28.1 1.0
O A:SER292 4.2 33.6 1.0
CA A:GLY323 4.2 21.2 1.0
CG A:LEU296 4.2 28.8 1.0
N A:GLY323 4.2 20.5 1.0
CA A:VAL302 4.4 33.8 1.0
N A:SER304 4.4 30.6 1.0
C A:SER292 4.6 33.4 1.0
C4 A:ULD401 4.7 23.5 1.0
CA A:SER304 4.7 29.4 1.0
CB A:SER292 4.7 32.4 1.0
C7 A:ULD401 4.8 26.6 1.0
N A:VAL303 4.8 31.8 1.0
N A:VAL302 4.8 36.0 1.0
C A:VAL303 4.8 37.0 1.0
CB A:SER304 4.9 24.5 1.0
C6 A:ULD401 5.0 25.9 1.0

Fluorine binding site 5 out of 5 in 6x2h

Go back to Fluorine Binding Sites List in 6x2h
Fluorine binding site 5 out of 5 in the Crystal Structure of PT2863 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 5 of Crystal Structure of PT2863 Bound to HIF2A-B*:Arnt-B* Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:31.1
occ:1.00
 F5 A:ULD401 0.0 31.1 1.0
C10 A:ULD401 1.3 33.3 1.0
F3 A:ULD401 2.2 32.0 1.0
F4 A:ULD401 2.2 41.4 1.0
S1 A:ULD401 2.5 31.6 1.0
O2 A:ULD401 2.8 32.6 1.0
C1 A:ULD401 3.1 28.1 1.0
C4 A:ULD401 3.3 23.5 1.0
CG2 A:THR321 3.4 22.6 1.0
O A:THR321 3.5 30.7 1.0
N A:GLY323 3.6 20.5 1.0
O3 A:ULD401 3.7 29.8 1.0
CB A:SER304 3.8 24.5 1.0
CB A:THR321 3.8 22.4 1.0
N A:SER304 3.9 30.6 1.0
CA A:GLY323 3.9 21.2 1.0
O A:VAL302 3.9 36.0 1.0
C A:THR321 4.0 25.4 1.0
C7 A:ULD401 4.1 26.6 1.0
CA A:SER304 4.2 29.4 1.0
C A:GLN322 4.2 25.0 1.0
C3 A:ULD401 4.5 21.5 1.0
CA A:GLN322 4.6 27.8 1.0
CA A:THR321 4.6 22.2 1.0
N A:GLN322 4.6 27.0 1.0
OG A:SER304 4.7 20.3 1.0
CG1 A:VAL302 4.7 39.2 1.0
C A:VAL302 4.7 36.2 1.0
C A:VAL303 4.8 37.0 1.0
C6 A:ULD401 4.9 25.9 1.0
O A:GLN322 4.9 22.5 1.0

Reference:

X.Du, X.Du. N/A N/A.
Page generated: Fri Aug 2 03:55:45 2024

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