Fluorine in PDB 6rzg: Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative

Protein crystallography data

The structure of Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative, PDB code: 6rzg was solved by R.Kumar, K.Peterson, U.J.Nilsson, D.T.Logan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.26 / 1.02
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.300, 57.988, 62.528, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 15.5

Other elements in 6rzg:

The structure of Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative (pdb code 6rzg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative, PDB code: 6rzg:

Fluorine binding site 1 out of 1 in 6rzg

Go back to Fluorine Binding Sites List in 6rzg
Fluorine binding site 1 out of 1 in the Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:13.7
occ:1.00
F34 A:KOW301 0.0 13.7 1.0
C28 A:KOW301 1.4 13.1 1.0
C29 A:KOW301 2.4 14.4 1.0
C27 A:KOW301 2.4 12.0 1.0
H271 A:KOW301 2.5 14.4 1.0
HG3 A:ARG144 2.5 18.7 1.0
H291 A:KOW301 2.5 17.3 1.0
HB2 A:ALA146 2.8 14.1 1.0
HB2 A:ARG144 2.8 15.9 1.0
C A:ILE145 3.0 9.6 1.0
HD2 A:ARG144 3.1 22.3 1.0
CG A:ARG144 3.2 15.6 1.0
O A:ILE145 3.3 9.7 1.0
HD22 A:ASN160 3.3 13.4 1.0
N A:ILE145 3.3 10.6 1.0
N A:ALA146 3.3 9.9 1.0
HD21 A:ASN160 3.4 13.4 1.0
HA A:ILE145 3.4 12.5 1.0
CB A:ARG144 3.4 13.3 1.0
CA A:ILE145 3.5 10.4 1.0
CB A:ALA146 3.5 11.7 1.0
H A:ILE145 3.5 12.7 1.0
HB3 A:ALA146 3.5 14.1 1.0
CD A:ARG144 3.6 18.6 1.0
C A:ARG144 3.6 10.6 1.0
ND2 A:ASN160 3.6 11.2 1.0
C30 A:KOW301 3.6 16.4 1.0
H A:ALA146 3.6 11.8 1.0
C26 A:KOW301 3.6 13.7 1.0
HA3 A:GLY238 3.7 14.0 1.0
CA A:ALA146 4.0 10.0 1.0
O A:ARG144 4.0 11.8 1.0
NE A:ARG144 4.0 22.3 1.0
HG2 A:ARG144 4.1 18.7 1.0
C31 A:KOW301 4.1 15.7 1.0
CA A:ARG144 4.1 10.8 1.0
HB3 A:ARG144 4.2 15.9 1.0
HE A:ARG144 4.2 26.7 1.0
HA2 A:GLY238 4.3 14.0 1.0
HA A:ALA146 4.3 12.0 1.0
HB1 A:ALA146 4.3 14.1 1.0
H301 A:KOW301 4.3 19.7 1.0
CA A:GLY238 4.4 11.7 1.0
HB2 A:SER237 4.4 17.7 0.6
HD3 A:ARG144 4.5 22.3 1.0
O A:SER237 4.5 11.2 1.0
HA A:ARG144 4.6 13.0 1.0
OG A:SER237 4.6 12.7 0.4
CZ A:ARG144 4.7 25.6 1.0
HH21 A:ARG144 4.7 30.5 1.0
CG A:ASN160 4.7 10.6 1.0
C A:SER237 4.8 11.4 1.0
CL A:CL302 4.8 23.7 1.0
N A:GLY238 4.8 11.6 1.0
C25 A:KOW301 4.8 13.3 1.0
NH2 A:ARG144 4.9 25.4 1.0
HG A:SER237 5.0 15.2 0.4
CB A:ILE145 5.0 11.8 1.0

Reference:

J.Wallerstein, R.Kumar, M.M.Ignjatovic, O.Caldararu, K.Peterson, H.Leffler, U.J.Nilsson, D.T.Logan, U.Ryde, M.Akke. Effects of Variable Fluorine Interactions on Conformational Entropy and Solvation Entropy in Protein Ligand Binding To Be Published.
Page generated: Sun Dec 13 13:10:51 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