Chlorine 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:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Galectin-3C in Complex with Meta-Fluoroaryltriazole Galactopyranosyl 1-Thio-D-Glucopyranoside Derivative, PDB code: 6rzg:

Chlorine binding site 1 out of 1 in 6rzg

Go back to Chlorine Binding Sites List in 6rzg
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl302

b:23.7
occ:1.00
O A:HOH420 2.7 34.7 1.0
HD21 A:ASN160 2.9 13.4 1.0
H241 A:KOW301 3.0 15.6 1.0
HE A:ARG162 3.3 14.4 1.0
HG2 A:ARG162 3.3 14.0 1.0
H271 A:KOW301 3.3 14.4 1.0
OD1 A:ASN160 3.3 12.4 1.0
HD2 A:ARG144 3.4 22.3 1.0
NE A:ARG162 3.6 12.0 1.0
ND2 A:ASN160 3.6 11.2 1.0
HB2 A:ARG144 3.7 15.9 1.0
H201 A:KOW301 3.7 16.1 1.0
C24 A:KOW301 3.8 13.0 1.0
CG A:ASN160 3.9 10.6 1.0
HB3 A:ARG144 3.9 15.9 1.0
C27 A:KOW301 4.0 12.0 1.0
HH21 A:ARG162 4.0 14.7 1.0
HD3 A:ARG162 4.0 14.3 1.0
CG A:ARG162 4.1 11.7 1.0
CZ A:ARG162 4.1 12.1 1.0
HD3 A:ARG144 4.1 22.3 1.0
HH21 A:ARG144 4.1 30.5 1.0
CD A:ARG162 4.2 11.9 1.0
CD A:ARG144 4.2 18.6 1.0
CB A:ARG144 4.2 13.3 1.0
NH2 A:ARG162 4.3 12.3 1.0
HD22 A:ASN160 4.4 13.4 1.0
HG3 A:ARG162 4.5 14.0 1.0
O01 A:KOW301 4.5 11.4 1.0
C25 A:KOW301 4.5 13.3 1.0
C26 A:KOW301 4.6 13.7 1.0
C20 A:KOW301 4.6 13.4 1.0
C28 A:KOW301 4.8 13.1 1.0
CG A:ARG144 4.8 15.6 1.0
F34 A:KOW301 4.8 13.7 1.0
N23 A:KOW301 4.8 13.6 1.0
HH22 A:ARG162 4.9 14.7 1.0
H011 A:KOW301 4.9 13.7 1.0
NH1 A:ARG162 5.0 13.0 1.0
NH2 A:ARG144 5.0 25.4 1.0
O A:HOH542 5.0 30.8 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: Sat Dec 12 13:37:50 2020

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