Chlorine in PDB 5ikc: X-Ray Structure of the N-Terminal Domain of Human Doublecortin in Complex with Fab

The structure of X-Ray Structure of the N-Terminal Domain of Human Doublecortin in Complex with Fab, PDB code: 5ikc was solved by A.Ruf, M.Stihle, J.Benz, R.Thoma, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.83 / 2.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.858, 110.399, 75.092, 90.00, 106.54, 90.00
R / Rfree (%)	19.8 / 26.5

The binding sites of Chlorine atom in the X-Ray Structure of the N-Terminal Domain of Human Doublecortin in Complex with Fab (pdb code 5ikc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the N-Terminal Domain of Human Doublecortin in Complex with Fab, PDB code: 5ikc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the N-Terminal Domain of Human Doublecortin in Complex with Fab


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 the N-Terminal Domain of Human Doublecortin in Complex with Fab within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:34.9 occ:1.00 N B:LYS100 3.0 24.4 1.0 NE2 B:HIS35 3.1 21.0 1.0 O M:HOH215 3.2 27.4 1.0 NH2 B:ARG50 3.4 30.8 1.0 CD2 B:TYR33 3.6 38.4 1.0 CB B:LYS100 3.6 26.6 1.0 CB B:TYR33 3.7 24.3 1.0 CA B:SER99 3.8 23.9 1.0 C B:SER99 3.8 27.7 1.0 CG B:TYR33 3.8 31.8 1.0 CG2 M:ILE95 3.8 53.9 1.0 CA B:LYS100 3.8 22.3 1.0 CG B:LYS100 3.9 24.5 1.0 CD B:ARG50 3.9 37.2 1.0 CE1 B:HIS35 3.9 20.1 1.0 CD2 B:HIS35 4.2 18.1 1.0 CB B:SER99 4.2 25.4 1.0 CZ B:ARG50 4.4 49.4 1.0 CD B:LYS100 4.5 29.7 1.0 CE2 B:TYR33 4.5 40.0 1.0 OD1 M:ASN96 4.5 44.8 1.0 NE B:ARG50 4.6 47.8 1.0 CD1 B:TYR33 4.8 38.1 1.0 ND2 M:ASN96 4.8 50.5 1.0 CG B:ARG50 4.9 38.5 1.0 O B:SER99 4.9 19.4 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the N-Terminal Domain of Human Doublecortin in Complex with Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the N-Terminal Domain of Human Doublecortin in Complex with Fab within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:21.7 occ:1.00 O N:HOH219 3.2 23.7 1.0 N H:LYS100 3.2 21.4 1.0 NE2 H:HIS35 3.2 22.8 1.0 NH2 H:ARG50 3.3 25.4 1.0 CD1 H:TYR33 3.6 30.6 1.0 CA H:SER99 3.8 25.5 1.0 CB H:TYR33 3.8 22.7 1.0 CB H:LYS100 3.8 22.1 1.0 CG H:TYR33 3.9 23.6 1.0 CG2 N:ILE95 3.9 30.2 1.0 C H:SER99 3.9 26.7 1.0 CE1 H:HIS35 4.0 23.5 1.0 CD H:ARG50 4.0 34.2 1.0 CB H:SER99 4.0 24.5 1.0 CG H:LYS100 4.0 22.6 1.0 CA H:LYS100 4.1 21.8 1.0 CZ H:ARG50 4.4 32.1 1.0 CD H:LYS100 4.4 22.9 1.0 CD2 H:HIS35 4.4 22.1 1.0 CE1 H:TYR33 4.4 33.0 1.0 OD1 N:ASN96 4.5 40.5 1.0 ND2 N:ASN96 4.5 33.7 1.0 NE H:ARG50 4.6 37.9 1.0 CD2 H:TYR33 4.8 36.4 1.0 CG N:ASN96 4.8 33.0 1.0 CG H:ARG50 4.9 27.7 1.0

D.Burger, M.Stihle, A.Sharma, P.Di Lello, J.Benz, B.D'arcy, M.Debulpaep, D.Fry, W.Huber, T.Kremer, T.Laeremans, H.Matile, A.Ross, A.C.Rufer, G.Schoch, M.O.Steinmetz, J.Steyaert, M.G.Rudolph, R.Thoma, A.Ruf. Crystal Structures of the Human Doublecortin C- and N-Terminal Domains in Complex with Specific Antibodies. J.Biol.Chem. V. 291 16292 2016.
ISSN: ESSN 1083-351X
PubMed: 27226599
DOI: 10.1074/JBC.M116.726547