Chlorine in PDB 5fwv: Wnt Modulator Kremen Crystal Form III at 3.2A

The structure of Wnt Modulator Kremen Crystal Form III at 3.2A, PDB code: 5fwv was solved by M.Zebisch, V.A.Jackson, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.19 / 3.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.844, 67.844, 198.193, 90.00, 90.00, 90.00
R / Rfree (%)	19.549 / 26.484

The binding sites of Chlorine atom in the Wnt Modulator Kremen Crystal Form III at 3.2A (pdb code 5fwv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Wnt Modulator Kremen Crystal Form III at 3.2A, PDB code: 5fwv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Wnt Modulator Kremen Crystal Form III at 3.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wnt Modulator Kremen Crystal Form III at 3.2A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1323 b:88.7 occ:1.00 NH2 A:ARG203 3.5 71.7 1.0 NE2 A:HIS126 3.8 0.7 1.0 NH1 A:ARG203 3.9 66.8 1.0 CZ A:ARG203 4.2 66.9 1.0 CD A:LYS124 4.3 71.0 1.0 NZ A:LYS124 4.3 75.7 1.0 CD2 A:HIS126 4.6 0.8 1.0 CE A:LYS124 4.7 71.5 1.0 CE1 A:HIS126 4.8 0.8 1.0

Chlorine binding site 2 out of 5 in the Wnt Modulator Kremen Crystal Form III at 3.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wnt Modulator Kremen Crystal Form III at 3.2A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1324 b:67.3 occ:0.50 NZ A:LYS137 3.4 54.0 1.0 CD1 A:PHE150 4.0 52.5 1.0 CE A:LYS137 4.6 53.6 1.0 CB A:PHE150 4.7 49.3 1.0 CG A:PHE150 4.8 50.8 1.0 CE1 A:PHE150 4.8 54.6 1.0

Chlorine binding site 3 out of 5 in the Wnt Modulator Kremen Crystal Form III at 3.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wnt Modulator Kremen Crystal Form III at 3.2A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1325 b:50.5 occ:1.00 OH A:TYR96 3.3 62.9 1.0 CE1 A:TYR105 3.5 75.1 1.0 OH A:TYR105 3.6 73.8 1.0 CD A:PRO65 4.0 58.6 1.0 CZ A:TYR105 4.0 76.5 1.0 CZ A:TYR96 4.3 64.0 1.0 CE1 A:TYR96 4.3 66.6 1.0 CG A:PRO65 4.3 59.3 1.0 CD1 A:TYR105 4.6 75.0 1.0 CD2 A:TYR66 4.7 53.5 1.0 CE2 A:TYR66 5.0 55.6 1.0

Chlorine binding site 4 out of 5 in the Wnt Modulator Kremen Crystal Form III at 3.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Wnt Modulator Kremen Crystal Form III at 3.2A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1326 b:91.4 occ:1.00 CD2 A:TYR241 3.9 80.1 1.0 CE2 A:TYR241 3.9 82.3 1.0 CE1 A:HIS276 3.9 65.4 1.0 NE2 A:HIS276 4.0 62.6 1.0 CG A:TYR241 4.5 78.0 1.0 CZ A:TYR241 4.5 86.9 1.0 ND1 A:HIS276 4.7 66.1 1.0 CD1 A:ILE300 4.7 80.3 1.0 CD2 A:HIS276 4.9 61.7 1.0 CD1 A:TYR241 5.0 82.4 1.0

Chlorine binding site 5 out of 5 in the Wnt Modulator Kremen Crystal Form III at 3.2A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Wnt Modulator Kremen Crystal Form III at 3.2A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1330 b:79.2 occ:1.00 CA A:LYS70 4.3 75.4 1.0 CG A:LYS70 4.3 87.5 1.0 CB A:LYS70 4.4 80.5 1.0

M.Zebisch, V.A.Jackson, Y.Zhao, E.Y.Jones. Structure of the Dual-Mode Wnt Regulator KREMEN1 and Insight Into Ternary Complex Formation with LRP6 and Dickkopf Structure V. 24 1599 2016.
ISSN: ISSN 0969-2126
PubMed: 27524201
DOI: 10.1016/J.STR.2016.06.020