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

Protein crystallography data

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

Chlorine Binding Sites:

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 5ikc

Go back to Chlorine Binding Sites List in 5ikc
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 5ikc

Go back to Chlorine Binding Sites List in 5ikc
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

Reference:

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
Page generated: Sat Dec 12 11:50:51 2020

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