Chlorine in PDB 3svc: Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex

The structure of Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex, PDB code: 3svc was solved by W.Wang, J.S.Grimley, L.S.Beese, H.W.Hellinga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.84 / 1.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.615, 62.664, 65.951, 90.00, 90.00, 90.00
R / Rfree (%)	13.4 / 16.4

The binding sites of Chlorine atom in the Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex (pdb code 3svc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex, PDB code: 3svc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl261 b:14.4 occ:0.58 HO2 A:EDO260 2.0 31.1 0.7 HD21 A:ASN185 2.2 17.8 1.0 HE22 A:GLN94 2.4 16.9 1.0 HG1 A:THR69 2.5 15.4 1.0 HE21 A:GLN183 2.9 21.0 1.0 O2 A:EDO260 2.9 26.0 0.7 HE2 A:PHE84 2.9 14.6 1.0 O A:HOH332 2.9 15.1 1.0 ND2 A:ASN185 3.0 14.9 1.0 OG1 A:THR69 3.0 12.9 1.0 HE22 A:GLN183 3.2 21.0 1.0 NE2 A:GLN94 3.2 14.2 1.0 NE2 A:GLN183 3.3 17.6 1.0 HB A:THR69 3.3 14.0 1.0 HG3 A:GLN94 3.3 16.6 1.0 HD22 A:ASN185 3.4 17.8 1.0 H21 A:EDO260 3.5 26.0 0.7 HE1 A:TYR92 3.5 13.1 1.0 CE2 A:PHE84 3.5 12.3 1.0 HH A:TYR92 3.6 15.5 1.0 C2 A:EDO260 3.6 21.7 0.7 HE21 A:GLN94 3.6 16.9 1.0 CB A:THR69 3.7 11.8 1.0 HB2 A:GLN94 3.7 13.6 1.0 HD2 A:PHE84 3.8 13.2 1.0 CG A:ASN185 3.9 14.1 1.0 H22 A:EDO260 3.9 26.0 0.7 OD1 A:ASN185 4.0 19.3 1.0 CG A:GLN94 4.0 13.9 1.0 CD2 A:PHE84 4.0 11.0 1.0 CD A:GLN94 4.1 18.3 1.0 HG21 A:THR69 4.1 14.7 1.0 H A:THR69 4.1 11.8 1.0 CE1 A:TYR92 4.1 11.0 1.0 OH A:TYR92 4.3 13.0 1.0 CB A:GLN94 4.4 11.4 1.0 O2 A:CR266 4.4 10.3 1.0 HD11 A:ILE161 4.4 24.7 1.0 CD A:GLN183 4.4 12.7 1.0 CZ A:PHE84 4.4 13.8 1.0 CG2 A:THR69 4.5 12.3 1.0 HZ A:PHE84 4.5 16.5 1.0 CZ A:TYR92 4.6 11.1 1.0 HA31 A:CR266 4.6 12.4 1.0 N A:THR69 4.8 9.9 1.0 HB3 A:GLN94 4.9 13.6 1.0 HG2 A:GLN94 4.9 16.6 1.0 HH22 A:ARG96 4.9 12.8 1.0 HH21 A:ARG96 4.9 12.8 1.0 CA A:THR69 4.9 9.8 1.0 CD1 A:TYR92 5.0 10.7 1.0 OE1 A:GLN183 5.0 12.2 1.0

Chlorine binding site 2 out of 3 in the Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl262 b:12.8 occ:1.00 H A:TRP57 2.5 10.2 1.0 HD1 A:TYR143 3.0 11.9 1.0 HD3 A:PRO58 3.1 10.2 1.0 HA A:PRO56 3.1 12.0 1.0 O A:HOH324 3.1 14.8 1.0 HB2 A:TRP57 3.1 10.2 1.0 N A:TRP57 3.2 8.5 1.0 O A:HOH505 3.3 18.3 1.0 O A:HOH368 3.4 21.8 1.0 HD2 A:PRO58 3.5 10.2 1.0 HB3 A:PRO56 3.6 12.8 1.0 CD A:PRO58 3.7 8.6 1.0 CD1 A:TRP57 3.7 9.6 1.0 CA A:PRO56 3.8 10.0 1.0 CD1 A:TYR143 3.9 10.0 1.0 CB A:TRP57 3.9 8.5 1.0 C A:PRO56 4.0 8.2 1.0 HE1 A:TYR143 4.1 12.3 1.0 CA A:TRP57 4.1 8.2 1.0 CB A:PRO56 4.2 10.8 1.0 CG A:TRP57 4.2 8.9 1.0 HB2 A:TYR143 4.4 12.1 1.0 HD1 A:HIS139 4.4 23.9 1.0 CE1 A:TYR143 4.4 10.4 1.0 O A:HOH337 4.4 15.3 1.0 O A:HOH387 4.6 31.2 1.0 HZ1 A:LYS209 4.6 14.2 1.0 HB2 A:PRO56 4.7 12.8 1.0 HB3 A:TRP57 4.7 10.2 1.0 N A:PRO58 4.8 7.9 1.0 HG2 A:PRO58 4.8 11.6 1.0 CG A:PRO58 4.8 9.8 1.0 HA A:TYR143 4.9 12.1 1.0 HA A:TRP57 4.9 9.8 1.0 CG A:TYR143 4.9 9.1 1.0 NE1 A:TRP57 4.9 9.4 1.0

Chlorine binding site 3 out of 3 in the Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Engineered Medium-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl263 b:19.9 occ:0.84 H A:VAL176 2.5 15.9 1.0 HB2 A:SER175 2.8 19.7 1.0 HG22 A:VAL176 3.0 27.3 1.0 O A:HOH451 3.1 33.2 1.0 N A:VAL176 3.3 13.3 1.0 HA A:SER175 3.3 16.6 1.0 CB A:SER175 3.6 16.5 1.0 CA A:SER175 3.8 13.9 1.0 CG2 A:VAL176 3.8 22.8 1.0 HB3 A:SER175 3.9 19.7 1.0 O A:VAL176 3.9 16.3 1.0 HG23 A:VAL176 4.0 27.3 1.0 C A:SER175 4.1 14.9 1.0 CA A:VAL176 4.3 13.3 1.0 HG21 A:VAL176 4.5 27.3 1.0 HG13 A:VAL176 4.5 23.0 1.0 O A:HOH311 4.5 30.7 1.0 C A:VAL176 4.6 13.7 1.0 CB A:VAL176 4.6 20.0 1.0 OG A:SER175 4.7 18.4 1.0 HG A:SER175 4.9 22.0 1.0

W.Wang, J.S.Grimley, G.J.Augustine, L.S.Beese, H.W.Hellinga. Determination of Engineered Chloride-Binding Site Structures in Fluorescent Proteins Reveals Principles of Halide Recognition To Be Published.