Atomistry » Fluorine » PDB 4gpb-4hw7 » 4hjx
Atomistry »
  Fluorine »
    PDB 4gpb-4hw7 »
      4hjx »

Fluorine in PDB 4hjx: Crystal Structure of F2YRS Complexed with F2Y

Protein crystallography data

The structure of Crystal Structure of F2YRS Complexed with F2Y, PDB code: 4hjx was solved by J.Wang, C.Tian, W.Gong, F.Li, P.Shi, J.Li, W.Ding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.59 / 2.91
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 101.307, 101.307, 71.779, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 26.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of F2YRS Complexed with F2Y (pdb code 4hjx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of F2YRS Complexed with F2Y, PDB code: 4hjx:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4hjx

Go back to Fluorine Binding Sites List in 4hjx
Fluorine binding site 1 out of 4 in the Crystal Structure of F2YRS Complexed with F2Y


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 F2YRS Complexed with F2Y within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:17.5
occ:1.00
F1 A:F2Y401 0.0 17.5 1.0
CE1 A:F2Y401 1.4 15.1 1.0
CZ A:F2Y401 2.4 15.0 1.0
CD1 A:F2Y401 2.4 13.6 1.0
OH A:F2Y401 2.7 11.5 1.0
ND2 A:ASN158 3.4 22.4 1.0
CA A:GLN155 3.5 14.1 1.0
CB A:GLN155 3.5 8.7 1.0
O A:HOH509 3.6 18.4 1.0
CG A:F2Y401 3.7 12.9 1.0
CE2 A:F2Y401 3.7 12.1 1.0
N A:GLN155 3.8 12.4 1.0
CG A:GLN155 4.0 9.5 1.0
CD2 A:F2Y401 4.1 12.7 1.0
OE1 A:GLN155 4.2 13.6 1.0
CE1 A:TYR65 4.2 19.3 1.0
C A:MET154 4.4 11.0 1.0
CD A:GLN155 4.4 13.2 1.0
CB A:ALA67 4.6 14.8 1.0
O A:MET154 4.6 11.0 1.0
CG A:ASN158 4.6 15.6 1.0
O A:TYR151 4.7 9.3 1.0
F2 A:F2Y401 4.8 11.7 1.0
CB A:F2Y401 4.8 10.5 1.0
C A:GLN155 4.8 15.4 1.0
O A:HOH529 4.8 7.9 1.0
CD1 A:TYR65 4.9 17.1 1.0
OH A:TYR65 4.9 19.5 1.0
CB A:ASN158 4.9 13.4 1.0
CZ A:TYR65 4.9 18.7 1.0
CB A:MET154 5.0 13.5 1.0

Fluorine binding site 2 out of 4 in 4hjx

Go back to Fluorine Binding Sites List in 4hjx
Fluorine binding site 2 out of 4 in the Crystal Structure of F2YRS Complexed with F2Y


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 F2YRS Complexed with F2Y within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:11.7
occ:1.00
F2 A:F2Y401 0.0 11.7 1.0
CE2 A:F2Y401 1.4 12.1 1.0
CZ A:F2Y401 2.4 15.0 1.0
CD2 A:F2Y401 2.4 12.7 1.0
O A:HOH529 2.6 7.9 1.0
OH A:F2Y401 2.7 11.5 1.0
O A:HOH510 3.3 5.3 1.0
CA A:GLY34 3.4 13.0 1.0
NH2 A:ARG32 3.5 9.3 1.0
O A:HOH532 3.5 12.6 1.0
N A:GLY34 3.5 21.5 1.0
NH1 A:ARG32 3.5 11.7 1.0
CG A:F2Y401 3.7 12.9 1.0
CE1 A:F2Y401 3.7 15.1 1.0
CZ A:ARG32 3.7 13.7 1.0
O A:HOH530 3.9 12.9 1.0
CD1 A:TYR65 4.1 17.1 1.0
CD1 A:F2Y401 4.2 13.6 1.0
NE2 A:GLN155 4.2 14.5 1.0
C A:GLY34 4.4 12.6 1.0
C A:ILE33 4.4 20.2 1.0
CG A:GLN155 4.4 9.5 1.0
CD A:GLN155 4.4 13.2 1.0
CB A:TYR65 4.5 17.2 1.0
O A:GLY34 4.6 16.4 1.0
CG A:TYR65 4.6 18.0 1.0
NE A:ARG32 4.7 22.6 1.0
F1 A:F2Y401 4.8 17.5 1.0
CB A:F2Y401 4.8 10.5 1.0
O A:HOH531 4.8 11.5 1.0
CE1 A:TYR65 4.8 19.3 1.0
O A:ILE33 5.0 19.1 1.0

Fluorine binding site 3 out of 4 in 4hjx

Go back to Fluorine Binding Sites List in 4hjx
Fluorine binding site 3 out of 4 in the Crystal Structure of F2YRS Complexed with F2Y


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 F2YRS Complexed with F2Y within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:13.2
occ:1.00
F1 B:F2Y401 0.0 13.2 1.0
CE1 B:F2Y401 1.4 13.5 1.0
CZ B:F2Y401 2.4 13.6 1.0
CD1 B:F2Y401 2.4 16.3 1.0
OH B:F2Y401 2.7 11.5 1.0
O B:HOH508 3.3 18.4 1.0
CA B:GLN155 3.5 11.4 1.0
ND2 B:ASN158 3.5 16.6 1.0
CB B:GLN155 3.5 8.3 1.0
CG B:F2Y401 3.7 14.5 1.0
CE2 B:F2Y401 3.7 12.9 1.0
N B:GLN155 3.8 10.6 1.0
CE2 B:TYR65 3.9 19.9 1.0
CG B:GLN155 4.0 10.9 1.0
CD2 B:F2Y401 4.2 12.6 1.0
OE1 B:GLN155 4.3 13.7 1.0
CG B:ASN158 4.3 16.1 1.0
C B:MET154 4.4 11.2 1.0
CD B:GLN155 4.4 13.3 1.0
O B:MET154 4.5 11.0 1.0
CB B:ALA67 4.6 15.4 1.0
CD2 B:TYR65 4.6 17.8 1.0
OH B:TYR65 4.6 21.6 1.0
CZ B:TYR65 4.7 19.3 1.0
CB B:ASN158 4.7 14.3 1.0
F2 B:F2Y401 4.8 11.7 1.0
C B:GLN155 4.8 13.5 1.0
CB B:F2Y401 4.8 11.4 1.0
O B:TYR151 4.8 9.6 1.0
O B:HOH523 4.9 11.2 1.0
CB B:MET154 5.0 15.2 1.0

Fluorine binding site 4 out of 4 in 4hjx

Go back to Fluorine Binding Sites List in 4hjx
Fluorine binding site 4 out of 4 in the Crystal Structure of F2YRS Complexed with F2Y


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 F2YRS Complexed with F2Y within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:11.7
occ:1.00
F2 B:F2Y401 0.0 11.7 1.0
CE2 B:F2Y401 1.4 12.9 1.0
CZ B:F2Y401 2.4 13.6 1.0
CD2 B:F2Y401 2.4 12.6 1.0
O B:HOH523 2.6 11.2 1.0
OH B:F2Y401 2.7 11.5 1.0
O B:HOH522 3.2 6.6 1.0
CA B:GLY34 3.3 10.3 1.0
O B:HOH525 3.3 8.2 1.0
N B:GLY34 3.4 20.5 1.0
NH1 B:ARG32 3.4 14.0 1.0
NH2 B:ARG32 3.6 10.8 1.0
CG B:F2Y401 3.7 14.5 1.0
CE1 B:F2Y401 3.7 13.5 1.0
CZ B:ARG32 3.7 16.2 1.0
O B:HOH524 3.8 10.5 1.0
NE2 B:GLN155 4.1 12.8 1.0
CD1 B:F2Y401 4.2 16.3 1.0
CD2 B:TYR65 4.2 17.8 1.0
C B:GLY34 4.3 11.6 1.0
C B:ILE33 4.3 18.4 1.0
CG B:GLN155 4.4 10.9 1.0
CD B:GLN155 4.4 13.3 1.0
O B:GLY34 4.5 17.4 1.0
CB B:TYR65 4.6 17.2 1.0
CG B:TYR65 4.7 18.9 1.0
NE B:ARG32 4.7 25.9 1.0
O B:HOH526 4.7 11.2 1.0
F1 B:F2Y401 4.8 13.2 1.0
CB B:F2Y401 4.8 11.4 1.0
CE2 B:TYR65 4.9 19.9 1.0
O B:ILE33 5.0 16.2 1.0

Reference:

F.Li, P.Shi, J.Li, F.Yang, T.Wang, W.Zhang, F.Gao, W.Ding, D.Li, J.Li, Y.Xiong, J.Sun, W.Gong, C.Tian, J.Wang. A Genetically Encoded 19F uc(Nmr) Probe For Tyrosine Phosphorylation. Angew.Chem.Int.Ed.Engl. V. 52 3958 2013.
ISSN: ISSN 1433-7851
PubMed: 23450644
DOI: 10.1002/ANIE.201300463
Page generated: Thu Aug 1 02:04:19 2024

Last articles

Ca in 5X2B
Ca in 5X7J
Ca in 5X7P
Ca in 5X7O
Ca in 5X7H
Ca in 5X7G
Ca in 5X6I
Ca in 5X2Q
Ca in 5X2O
Ca in 5X2P
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy