Chlorine in PDB 9jti: X-Ray Structure of Neile Inicator Complexed with Isoleucine

The structure of X-Ray Structure of Neile Inicator Complexed with Isoleucine, PDB code: 9jti was solved by V.R.Samygina, O.M.Subach, A.V.Vlaskina, E.A.Dronova, F.V.Subach, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.55 / 1.62
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.1, 69.2, 80.5, 90, 111.11, 90
R / Rfree (%)	15.8 / 18.4

The binding sites of Chlorine atom in the X-Ray Structure of Neile Inicator Complexed with Isoleucine (pdb code 9jti). 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 X-Ray Structure of Neile Inicator Complexed with Isoleucine, PDB code: 9jti:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Neile Inicator Complexed with Isoleucine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Neile Inicator Complexed with Isoleucine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:21.4 occ:1.00 O A:HOH896 3.0 23.2 1.0 NE2 A:HIS187 3.2 18.0 0.5 NE2 A:HIS187 3.2 16.1 0.5 NH2 A:ARG213 3.3 15.7 1.0 O A:HOH713 3.4 36.5 1.0 OG1 A:THR53 3.8 13.8 1.0 CE1 A:HIS187 3.8 15.6 0.5 CG2 A:THR53 3.9 12.8 1.0 CB A:THR53 3.9 12.8 1.0 CZ A:PHE55 4.0 14.0 1.0 OG A:SER33 4.0 18.0 1.0 CD2 A:CR2185 4.1 16.4 1.0 CE1 A:HIS187 4.1 16.3 0.5 CD2 A:HIS187 4.2 16.9 0.5 CB A:SER33 4.2 16.6 1.0 CE2 A:PHE55 4.3 14.2 1.0 CZ A:ARG213 4.3 15.1 1.0 O A:HOH802 4.3 17.4 1.0 CD2 A:HIS187 4.3 15.3 0.5 NE A:ARG213 4.4 14.1 1.0 CB2 A:CR2185 4.4 16.3 1.0 NH1 A:ARG75 4.6 21.1 1.0 O A:HOH702 4.7 18.0 0.5 CG2 A:CR2185 4.8 16.0 1.0 O2 A:CR2185 4.9 16.5 1.0

A.N.Asanova, O.M.Subach, S.A.Myachina, M.A.Evteeva, N.M.Gunitseva, A.A.Borisova, M.V.Patrushev, A.V.Vlaskina, A.Y.Nikolaeva, L.Yang, A.Gabdulkhakov, E.Dronova, V.R.Samygina, X.Xiao, H.Zhao, K.D.Piatkevich, F.V.Subach. Neile, A Genetically Encoded Indicator For Branched-Chain Amino Acids Based on Mneongreen Fluorescent Protein and Livbp Protein. Acs Sens V. 9 5135 2024.
ISSN: ISSN 2379-3694
PubMed: 39400357
DOI: 10.1021/ACSSENSORS.4C01055