Chlorine in PDB 4kgf: Crystal Structure of Near-Infrared Fluorescent Protein with An Extended Stokes Shift, pH 8.0

The structure of Crystal Structure of Near-Infrared Fluorescent Protein with An Extended Stokes Shift, pH 8.0, PDB code: 4kgf was solved by V.N.Malashkevich, K.Piatkevich, S.C.Almo, V.Verkhusha, New Yorkstructural Genomics Research Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.85 / 2.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	105.893, 105.893, 217.982, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of Near-Infrared Fluorescent Protein with An Extended Stokes Shift, pH 8.0 (pdb code 4kgf). 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 Crystal Structure of Near-Infrared Fluorescent Protein with An Extended Stokes Shift, pH 8.0, PDB code: 4kgf:

Chlorine binding site 1 out of 1 in the Crystal Structure of Near-Infrared Fluorescent Protein with An Extended Stokes Shift, pH 8.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Near-Infrared Fluorescent Protein with An Extended Stokes Shift, pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl500 b:66.0 occ:1.00 ND2 A:ASN158 3.3 53.8 1.0 NH2 A:ARG197 3.4 45.8 0.6 O A:HOH621 3.5 44.6 1.0 OE2 A:GLU145 3.5 52.8 1.0 CD A:GLU145 3.5 54.2 1.0 CD2 A:LEU174 3.7 28.2 1.0 NH2 A:ARG92 3.7 45.7 1.0 OE1 A:GLU145 3.8 58.5 1.0 NE A:ARG197 3.9 49.8 0.6 CD1 A:NRQ63 4.0 50.4 1.0 CG A:GLU145 4.0 48.0 1.0 CB2 A:NRQ63 4.0 50.1 1.0 CZ A:ARG92 4.1 42.5 1.0 CZ A:ARG197 4.1 46.4 0.6 OH A:TYR178 4.2 58.3 1.0 NE A:ARG92 4.3 41.5 1.0 CG A:ASN158 4.3 51.7 1.0 OG1 A:THR176 4.4 43.9 1.0 CB A:GLU145 4.4 48.7 1.0 OD1 A:ASN158 4.5 51.5 1.0 CG2 A:NRQ63 4.5 52.3 1.0 NH1 A:ARG92 4.8 39.2 1.0 O2 A:NRQ63 4.8 52.7 1.0 CB A:LEU174 4.8 31.4 1.0 NZ A:LYS67 4.8 57.8 1.0 CG A:LEU174 4.9 30.2 1.0 NE A:ARG197 5.0 49.8 0.4

K.D.Piatkevich, V.N.Malashkevich, K.S.Morozova, N.A.Nemkovich, S.C.Almo, V.V.Verkhusha. Extended Stokes Shift in Fluorescent Proteins: Chromophore-Protein Interactions in A Near-Infrared TAGRFP675 Variant. Sci Rep V. 3 1847 2013.
ISSN: ESSN 2045-2322
PubMed: 23677204
DOI: 10.1038/SREP01847