Atomistry » Fluorine » PDB 6y9h-6yhc » 6ygw
Atomistry »
  Fluorine »
    PDB 6y9h-6yhc »
      6ygw »

Fluorine in PDB 6ygw: Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5

Enzymatic activity of Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5

All present enzymatic activity of Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5:
2.4.2.29;

Protein crystallography data

The structure of Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5, PDB code: 6ygw was solved by A.Nguyen, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.91 / 1.16
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.305, 65.345, 70.134, 90.00, 95.99, 90.00
R / Rfree (%) 11.4 / 13.2

Other elements in 6ygw:

The structure of Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5 also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5 (pdb code 6ygw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5, PDB code: 6ygw:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6ygw

Go back to Fluorine Binding Sites List in 6ygw
Fluorine binding site 1 out of 3 in the Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F95

b:14.2
occ:1.00
F A:FTR95 0.0 14.2 1.0
CZ3 A:FTR95 1.3 11.8 1.0
CH2 A:FTR95 2.3 10.9 1.0
CE3 A:FTR95 2.4 11.2 1.0
HH2 A:FTR95 2.5 13.1 1.0
HB2 A:ARG60 2.5 14.0 1.0
HE3 A:FTR95 2.6 13.4 1.0
HG12 A:VAL59 2.6 14.2 1.0
HB A:VAL59 2.7 13.2 1.0
H A:ARG60 2.8 12.3 1.0
N A:ARG60 2.8 10.3 1.0
HA A:ARG60 2.9 12.8 1.0
CA A:ARG60 3.1 10.7 1.0
O A:PRO56 3.1 11.2 1.0
CB A:ARG60 3.2 11.7 1.0
CG1 A:VAL59 3.3 11.9 1.0
CB A:VAL59 3.3 11.0 1.0
C A:VAL59 3.4 10.5 1.0
HG11 A:VAL59 3.6 14.2 1.0
CZ2 A:FTR95 3.6 10.2 1.0
CD2 A:FTR95 3.6 10.0 1.0
HB3 A:ARG60 3.8 14.0 1.0
HB3 A:ALA64 3.9 13.4 1.0
HD3 A:ARG60 3.9 14.0 1.0
CA A:VAL59 3.9 10.4 1.0
O A:VAL59 4.0 10.9 1.0
CE2 A:FTR95 4.0 10.0 1.0
HG13 A:VAL59 4.1 14.2 1.0
C A:PRO56 4.2 11.0 1.0
HA A:PRO56 4.2 13.7 1.0
C3 A:GOL402 4.3 22.7 1.0
HD2 A:ARG60 4.3 14.0 1.0
HZ2 A:FTR95 4.3 12.3 1.0
O A:ALA64 4.3 10.5 1.0
CG A:ARG60 4.3 11.9 1.0
CD A:ARG60 4.4 11.7 1.0
C1 A:GOL402 4.4 23.5 1.0
HD2 A:ARG97 4.5 16.1 1.0
HG23 A:ILE67 4.5 12.5 1.0
HB3 A:PRO56 4.5 15.8 1.0
N A:VAL59 4.6 10.5 1.0
C A:ARG60 4.6 11.4 1.0
CA A:PRO56 4.7 11.4 1.0
H A:VAL59 4.7 12.7 1.0
CG2 A:VAL59 4.7 11.8 1.0
HA A:VAL59 4.7 12.5 1.0
HG2 A:ARG60 4.7 14.3 1.0
HG21 A:VAL59 4.7 14.1 1.0
CB A:ALA64 4.8 11.1 1.0
HG21 A:ILE67 4.8 12.5 1.0
CG A:FTR95 5.0 10.2 1.0
HB1 A:ALA64 5.0 13.4 1.0
HG23 A:VAL59 5.0 14.1 1.0

Fluorine binding site 2 out of 3 in 6ygw

Go back to Fluorine Binding Sites List in 6ygw
Fluorine binding site 2 out of 3 in the Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F296

b:24.1
occ:1.00
F A:FTR296 0.0 24.1 1.0
CZ3 A:FTR296 1.3 21.5 1.0
CH2 A:FTR296 2.3 21.6 1.0
CE3 A:FTR296 2.4 18.6 1.0
HH2 A:FTR296 2.5 25.9 1.0
HD13 A:LEU357 2.5 16.9 1.0
HE3 A:FTR296 2.6 22.3 1.0
HD1 A:PHE377 2.8 20.5 1.0
HE1 A:PHE377 2.9 21.8 1.0
HD12 A:LEU357 3.1 16.9 1.0
HZ A:PHE373 3.1 20.4 1.0
CD1 A:LEU357 3.2 14.1 1.0
HD2 A:LYS360 3.3 23.5 1.0
CD1 A:PHE377 3.3 17.1 1.0
HA A:LEU357 3.3 12.8 1.0
CE1 A:PHE377 3.4 18.2 1.0
HB2 A:LEU357 3.5 14.1 1.0
CD2 A:FTR296 3.6 16.8 1.0
CZ2 A:FTR296 3.6 20.4 1.0
HD11 A:LEU357 3.9 16.9 1.0
CZ A:PHE373 4.0 17.0 1.0
CB A:LEU357 4.0 11.8 1.0
HZ A:PHE353 4.0 21.1 1.0
CE2 A:FTR296 4.1 18.1 1.0
CD A:LYS360 4.1 19.6 1.0
CA A:LEU357 4.1 10.7 1.0
HD3 A:LYS360 4.1 23.5 1.0
HE3 A:LYS360 4.2 27.0 1.0
CG A:LEU357 4.2 12.5 1.0
HE1 A:PHE373 4.2 20.8 1.0
HZ2 A:FTR296 4.3 24.5 1.0
CZ A:PHE353 4.4 17.6 1.0
C1 A:GOL401 4.5 34.5 1.0
CG A:PHE377 4.5 15.6 1.0
CE1 A:PHE373 4.6 17.3 1.0
HB2 A:LYS360 4.6 16.0 1.0
HD22 A:LEU357 4.6 17.2 1.0
HB2 A:PHE377 4.6 18.5 1.0
CZ A:PHE377 4.6 18.4 1.0
CE A:LYS360 4.7 22.5 1.0
N A:LEU357 4.8 10.7 1.0
O A:HOH579 4.8 16.3 1.0
HE1 A:PHE353 4.9 21.2 1.0
HA A:FTR296 4.9 16.8 1.0
CE1 A:PHE353 4.9 17.6 1.0
HG A:LEU357 4.9 15.0 1.0
CG A:FTR296 4.9 14.7 1.0
HB3 A:LEU357 4.9 14.1 1.0
CD2 A:LEU357 5.0 14.3 1.0
CE2 A:PHE353 5.0 16.2 1.0
HZ A:PHE377 5.0 22.1 1.0

Fluorine binding site 3 out of 3 in 6ygw

Go back to Fluorine Binding Sites List in 6ygw
Fluorine binding site 3 out of 3 in the Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Tgt W178F Mutant Labelled Mit 5F-Trp Crystallised at pH 5.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F326

b:13.6
occ:1.00
F A:FTR326 0.0 13.6 1.0
CZ3 A:FTR326 1.3 11.8 1.0
CH2 A:FTR326 2.4 11.9 1.0
CE3 A:FTR326 2.4 11.0 1.0
HH2 A:FTR326 2.5 14.2 1.0
HE3 A:FTR326 2.6 13.2 1.0
HA A:VAL322 2.6 12.7 1.0
HD22 A:LEU345 2.9 13.6 1.0
HG22 A:VAL322 3.0 13.2 1.0
HD2 A:LYS325 3.1 25.8 1.0
HD21 A:LEU345 3.3 13.6 1.0
HB2 A:LYS325 3.4 18.9 1.0
CA A:VAL322 3.5 10.6 1.0
CD2 A:LEU345 3.5 11.3 1.0
O A:ALA321 3.6 12.6 1.0
CD2 A:FTR326 3.6 10.7 1.0
CZ2 A:FTR326 3.6 11.9 1.0
N A:VAL322 3.7 10.8 1.0
C A:ALA321 3.8 11.5 1.0
CG2 A:VAL322 3.9 11.0 1.0
HD23 A:LEU345 3.9 13.6 1.0
O A:HOH901 3.9 20.1 1.0
HB1 A:ALA321 3.9 16.0 1.0
CD A:LYS325 4.0 21.5 1.0
HG13 A:VAL322 4.0 13.2 1.0
CE2 A:FTR326 4.1 11.1 1.0
HB3 A:ALA321 4.1 16.0 1.0
HG23 A:VAL322 4.1 13.2 1.0
CB A:VAL322 4.2 10.7 1.0
H A:VAL322 4.2 13.0 1.0
HD3 A:LYS325 4.2 25.8 1.0
CB A:LYS325 4.3 15.7 1.0
HZ2 A:FTR326 4.4 14.3 1.0
CB A:ALA321 4.4 13.4 1.0
HD13 A:LEU345 4.5 13.4 1.0
C A:VAL322 4.6 11.0 1.0
HB3 A:LYS325 4.6 18.9 1.0
HG21 A:VAL322 4.6 13.2 1.0
CG1 A:VAL322 4.6 11.0 1.0
CG A:LYS325 4.6 19.0 1.0
O A:VAL322 4.7 12.1 1.0
OE1 A:GLU348 4.7 11.2 1.0
CA A:ALA321 4.7 12.2 1.0
HG3 A:LYS325 4.8 22.8 1.0
CG A:LEU345 4.8 10.9 1.0
HD11 A:LEU345 4.9 13.4 1.0
CG A:FTR326 4.9 10.9 1.0
CD1 A:LEU345 5.0 11.2 1.0
CE A:LYS325 5.0 23.4 1.0

Reference:

A.Nguyen, A.Heine, G.Klebe. Mutation Study on Trna-Guanine Transglycosylase Within 19F uc(Nmr) Experiments For Conformational Change Analysis To Be Published.
Page generated: Tue Jul 15 17:43:45 2025

Last articles

Mg in 4WF7
Mg in 4WEC
Mg in 4WEO
Mg in 4WCW
Mg in 4WE1
Mg in 4WCU
Mg in 4WDQ
Mg in 4WB6
Mg in 4WB8
Mg in 4WC0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy