Chlorine in PDB 4cq1: Crystal Structure of the Neuronal Isoform of Ptb

The structure of Crystal Structure of the Neuronal Isoform of Ptb, PDB code: 4cq1 was solved by A.Joshi, A.N.Buckroyd, S.Curry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.81 / 1.69
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.000, 65.810, 99.580, 89.99, 90.00, 89.99
R / Rfree (%)	17.003 / 20.762

The structure of Crystal Structure of the Neuronal Isoform of Ptb also contains other interesting chemical elements:

Zinc

(Zn)

12 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Neuronal Isoform of Ptb (pdb code 4cq1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of the Neuronal Isoform of Ptb, PDB code: 4cq1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


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 the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1533 b:20.3 occ:1.00 ZN A:ZN1532 2.5 22.7 1.0 O A:HOH2039 3.1 23.3 1.0 O A:HOH2043 3.3 24.1 1.0 NE2 C:HIS491 3.4 34.1 1.0 NE2 A:HIS412 3.5 22.5 1.0 CE1 C:HIS491 3.5 33.3 1.0 CD1 A:LEU371 3.7 28.7 1.0 CD2 A:HIS412 3.8 19.7 1.0 CD2 A:LEU379 3.9 17.1 1.0 CD1 A:LEU341 4.1 13.4 1.0 CG A:LEU379 4.5 15.7 1.0 CD1 A:LEU379 4.5 21.3 1.0 CD2 C:HIS491 4.6 31.1 1.0 CE1 A:HIS412 4.7 21.6 1.0 ND1 C:HIS491 4.8 31.6 1.0 CD2 A:LEU371 4.8 24.4 1.0 OG A:SER410 4.8 19.1 1.0 CG A:LEU371 4.8 24.2 1.0 CD2 A:LEU341 4.9 17.4 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1533 b:22.8 occ:1.00 ZN B:ZN1532 2.3 19.7 1.0 O B:HOH2054 3.2 24.1 1.0 NE2 B:HIS412 3.5 21.6 1.0 CD1 B:LEU371 3.8 20.1 1.0 CD2 B:HIS412 3.8 17.9 1.0 CD2 B:LEU379 3.9 18.2 1.0 O B:HOH2053 4.0 21.3 1.0 CD1 B:LEU341 4.1 15.4 1.0 CG B:LEU379 4.5 14.2 1.0 CD1 B:LEU379 4.6 15.8 1.0 CD2 B:LEU341 4.7 15.2 1.0 CE1 B:HIS412 4.7 26.3 1.0 CD2 B:LEU371 4.9 14.3 1.0 CG B:LEU371 4.9 16.0 1.0 CG B:LEU341 5.0 13.9 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1533 b:24.9 occ:1.00 ZN C:ZN1532 2.5 22.8 1.0 O C:HOH2042 2.9 24.2 1.0 O C:HOH2045 3.2 31.9 1.0 NE2 C:HIS412 3.5 16.1 1.0 CD2 C:HIS412 3.7 13.6 1.0 CD2 C:LEU379 3.7 12.5 1.0 CD1 C:LEU341 3.7 14.2 1.0 CD1 C:LEU371 4.0 19.6 1.0 CG C:LEU379 4.5 11.9 1.0 CD2 C:LEU371 4.6 21.2 1.0 CD2 C:LEU341 4.6 14.5 1.0 CE1 C:HIS412 4.7 13.7 1.0 OG C:SER410 4.7 23.4 1.0 CD1 C:LEU379 4.7 14.6 1.0 CG C:LEU341 4.7 10.6 1.0 CG C:LEU371 4.9 20.0 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1532 b:26.3 occ:1.00 ZN B:ZN1534 2.3 18.4 1.0 O B:HOH2103 3.4 22.9 1.0 NE2 D:HIS412 3.5 13.8 1.0 O D:HOH2053 3.5 17.9 1.0 NE2 B:HIS491 3.6 10.8 1.0 CD2 D:LEU379 3.6 14.3 1.0 CD2 D:HIS412 3.7 10.5 1.0 CD1 D:LEU371 3.9 22.8 1.0 CE1 B:HIS491 4.0 14.2 1.0 CD1 D:LEU341 4.2 5.9 1.0 CG D:LEU379 4.6 13.0 1.0 CD1 D:LEU379 4.7 14.5 1.0 CD2 B:HIS491 4.7 17.7 1.0 CE1 D:HIS412 4.8 13.3 1.0 CD2 D:LEU371 4.8 17.9 1.0 OG D:SER410 4.9 16.4 1.0 CG D:LEU371 4.9 19.1 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1533 b:23.4 occ:1.00 ZN E:ZN1532 2.1 20.3 1.0 O E:HOH2047 3.3 24.6 1.0 NE2 G:HIS491 3.6 23.9 1.0 CD1 E:LEU371 3.7 24.7 1.0 NE2 E:HIS412 3.7 20.6 1.0 CD2 E:LEU379 3.8 12.3 1.0 O E:HOH2042 3.8 15.0 1.0 CD2 E:HIS412 4.0 15.1 1.0 CD1 E:LEU341 4.1 6.9 1.0 CE1 G:HIS491 4.2 19.1 1.0 CD2 E:LEU371 4.5 23.0 1.0 CD2 G:HIS491 4.5 16.6 1.0 CG E:LEU379 4.5 13.2 1.0 CG E:LEU371 4.7 19.9 1.0 CD1 E:LEU379 4.7 16.1 1.0 CE1 E:HIS412 4.9 19.0 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1533 b:19.7 occ:1.00 ZN F:ZN1532 2.2 16.5 1.0 O F:HOH2048 3.2 20.9 1.0 NE2 F:HIS412 3.3 13.8 1.0 O F:HOH2045 3.5 18.5 1.0 CD2 F:LEU379 3.7 12.1 1.0 CD2 F:HIS412 3.8 15.2 1.0 CD1 F:LEU371 3.9 26.5 1.0 CD1 F:LEU341 4.0 11.1 1.0 CE1 F:HIS412 4.4 18.2 1.0 CD2 F:LEU371 4.5 22.5 1.0 CG F:LEU379 4.5 13.4 1.0 OG F:SER410 4.7 12.7 1.0 CD1 F:LEU379 4.7 16.6 1.0 CG F:LEU371 4.8 19.7 1.0 CD2 F:LEU341 5.0 10.6 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1535 b:28.9 occ:1.00 ZN F:ZN1534 2.2 19.6 1.0 O F:HOH2085 3.3 18.8 1.0 NE2 F:HIS491 3.3 28.6 1.0 NE2 H:HIS412 3.5 31.5 1.0 O H:HOH2051 3.7 16.4 1.0 CE1 F:HIS491 3.7 21.1 1.0 CD2 H:HIS412 3.9 25.4 1.0 CD2 H:LEU379 4.2 16.3 1.0 CD1 H:LEU379 4.3 20.8 1.0 CD2 F:HIS491 4.4 20.1 1.0 CD1 H:LEU341 4.6 13.5 1.0 CG H:LEU379 4.6 16.9 1.0 CE1 H:HIS412 4.7 26.6 1.0 CD2 H:LEU341 4.8 19.5 1.0 CD2 H:LEU371 4.8 24.9 1.0 CG H:LEU371 4.9 15.1 1.0 ND1 F:HIS491 4.9 26.0 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of the Neuronal Isoform of Ptb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Neuronal Isoform of Ptb within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl1533 b:25.1 occ:1.00 ZN G:ZN1532 2.1 21.8 1.0 O G:HOH2047 3.4 30.0 1.0 O G:HOH2044 3.5 15.2 1.0 NE2 G:HIS412 3.7 16.2 1.0 CD1 G:LEU371 3.8 17.4 1.0 CD2 G:HIS412 3.9 16.7 1.0 CD2 G:LEU379 4.1 15.7 1.0 CD1 G:LEU379 4.3 20.2 1.0 CD1 G:LEU341 4.3 12.9 1.0 CG G:LEU379 4.4 12.5 1.0 CD2 G:LEU371 4.6 21.6 1.0 CG G:LEU371 4.8 18.0 1.0 CE1 G:HIS412 4.9 23.0 1.0

A.Joshi, V.Esteve, A.N.Buckroyd, M.Blatter, F.H.-T.Allain, S.Curry. Solution and Crystal Structures of A C Terminal Fragment of the Neuronal Isoform of the Polypyrimidine Tract Binding Protein (Nptb) Peerj V. 2 E211 2014.
ISSN: ISSN 2167-8359
DOI: 10.7287/PEERJ.PREPRINTS.211V1