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Fluorine in PDB 4i9o: Crystal Structure of Gackix L664C Tethered to 1-10

Enzymatic activity of Crystal Structure of Gackix L664C Tethered to 1-10

All present enzymatic activity of Crystal Structure of Gackix L664C Tethered to 1-10:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of Gackix L664C Tethered to 1-10, PDB code: 4i9o was solved by N.Wang, J.L.Meagher, J.A.Stuckey, A.K.Mapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.07 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 48.330, 48.330, 85.464, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 23.3

Other elements in 4i9o:

The structure of Crystal Structure of Gackix L664C Tethered to 1-10 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Gackix L664C Tethered to 1-10 (pdb code 4i9o). 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 Gackix L664C Tethered to 1-10, PDB code: 4i9o:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4i9o

Go back to Fluorine Binding Sites List in 4i9o
Fluorine binding site 1 out of 3 in the Crystal Structure of Gackix L664C Tethered to 1-10


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 Gackix L664C Tethered to 1-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:49.2
occ:1.00
F1 A:KI1701 0.0 49.2 1.0
C12 A:KI1701 1.3 48.4 1.0
F3 A:KI1701 2.1 47.4 1.0
F2 A:KI1701 2.1 49.0 1.0
C11 A:KI1701 2.4 46.6 1.0
C13 A:KI1701 3.0 49.3 1.0
CL A:KI1701 3.1 56.1 1.0
N A:ALA632 3.3 18.5 1.0
CG A:TYR631 3.3 27.1 1.0
C A:TYR631 3.3 21.8 1.0
CG2 A:VAL635 3.4 27.4 1.0
CA A:ALA632 3.4 19.4 1.0
C10 A:KI1701 3.4 45.3 1.0
O A:TYR631 3.5 22.5 1.0
CD2 A:TYR631 3.5 29.6 1.0
CD1 A:TYR631 3.7 28.4 1.0
CB A:TYR631 3.7 23.2 1.0
CE2 A:TYR631 4.0 31.3 1.0
CB A:ALA632 4.1 19.7 1.0
CE1 A:TYR631 4.2 30.1 1.0
CA A:TYR631 4.2 19.4 1.0
CB A:VAL635 4.2 26.6 1.0
CZ A:TYR631 4.3 37.1 1.0
C14 A:KI1701 4.3 49.0 1.0
C A:ALA632 4.6 22.3 1.0
C9 A:KI1701 4.6 45.8 1.0
O A:LEU628 4.8 23.8 1.0
O A:ALA632 4.9 22.0 1.0
C15 A:KI1701 5.0 47.0 1.0
CG1 A:VAL635 5.0 26.3 1.0

Fluorine binding site 2 out of 3 in 4i9o

Go back to Fluorine Binding Sites List in 4i9o
Fluorine binding site 2 out of 3 in the Crystal Structure of Gackix L664C Tethered to 1-10


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 Gackix L664C Tethered to 1-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:49.0
occ:1.00
F2 A:KI1701 0.0 49.0 1.0
C12 A:KI1701 1.3 48.4 1.0
F1 A:KI1701 2.1 49.2 1.0
F3 A:KI1701 2.2 47.4 1.0
C11 A:KI1701 2.3 46.6 1.0
C13 A:KI1701 2.9 49.3 1.0
CL A:KI1701 3.0 56.1 1.0
C10 A:KI1701 3.4 45.3 1.0
CB A:LEU607 3.5 19.1 1.0
CD1 A:ILE611 3.7 57.0 1.0
CB A:ALA632 3.9 19.7 1.0
CA A:ALA632 4.0 19.4 1.0
O A:LEU607 4.0 23.7 1.0
C A:LEU607 4.1 24.1 1.0
CD2 A:LEU607 4.1 30.0 1.0
CD1 A:ILE660 4.2 42.2 1.0
C14 A:KI1701 4.2 49.0 1.0
CG A:LEU607 4.3 26.8 1.0
CA A:LEU607 4.3 17.8 1.0
N A:ALA632 4.3 18.5 1.0
C9 A:KI1701 4.6 45.8 1.0
CG1 A:ILE611 4.6 42.6 1.0
N A:VAL608 4.6 19.4 1.0
CD1 A:LEU607 4.7 28.8 1.0
CG2 A:VAL635 4.8 27.4 1.0
C15 A:KI1701 4.9 47.0 1.0
C A:TYR631 4.9 21.8 1.0

Fluorine binding site 3 out of 3 in 4i9o

Go back to Fluorine Binding Sites List in 4i9o
Fluorine binding site 3 out of 3 in the Crystal Structure of Gackix L664C Tethered to 1-10


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 Gackix L664C Tethered to 1-10 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:47.4
occ:1.00
F3 A:KI1701 0.0 47.4 1.0
C12 A:KI1701 1.3 48.4 1.0
F1 A:KI1701 2.1 49.2 1.0
F2 A:KI1701 2.2 49.0 1.0
C11 A:KI1701 2.4 46.6 1.0
C10 A:KI1701 2.7 45.3 1.0
CD1 A:ILE660 3.3 42.2 1.0
CG2 A:VAL635 3.5 27.4 1.0
C13 A:KI1701 3.6 49.3 1.0
C9 A:KI1701 4.1 45.8 1.0
CD2 A:LEU607 4.1 30.0 1.0
CB A:VAL635 4.2 26.6 1.0
CG1 A:VAL635 4.3 26.3 1.0
CL A:KI1701 4.4 56.1 1.0
CG1 A:ILE660 4.6 37.3 1.0
O1 A:KI1701 4.6 48.5 1.0
CE2 A:TYR631 4.8 31.3 1.0
CB A:LEU607 4.8 19.1 1.0
C14 A:KI1701 4.8 49.0 1.0
CD2 A:TYR631 4.8 29.6 1.0
CG A:LEU607 4.9 26.8 1.0
CA A:ALA632 4.9 19.4 1.0
CZ A:TYR631 4.9 37.1 1.0
C15 A:KI1701 4.9 47.0 1.0

Reference:

N.Wang, C.Y.Majmudar, W.C.Pomerantz, J.K.Gagnon, J.D.Sadowsky, J.L.Meagher, T.K.Johnson, J.A.Stuckey, C.L.Brooks, J.A.Wells, A.K.Mapp. Ordering A Dynamic Protein Via A Small-Molecule Stabilizer. J.Am.Chem.Soc. V. 135 3363 2013.
ISSN: ISSN 0002-7863
PubMed: 23384013
DOI: 10.1021/JA3122334
Page generated: Sun Dec 13 12:04:19 2020

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