Chlorine in PDB 4xhq: Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains

The structure of Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains, PDB code: 4xhq was solved by Q.Chen, Y.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.83 / 1.95
Space group	P 42 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.172, 99.172, 163.991, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.3

The structure of Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Chlorine atom in the Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains (pdb code 4xhq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains, PDB code: 4xhq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:80.7 occ:1.00 NH1 A:ARG40 3.0 76.2 1.0 O A:GLU74 3.2 34.3 1.0 NH1 A:ARG53 3.2 33.7 1.0 NH2 A:ARG53 3.5 38.1 1.0 CB A:GLU74 3.7 42.5 1.0 C A:GLU74 3.7 36.5 1.0 CZ A:ARG53 3.8 40.9 1.0 CZ A:ARG40 3.9 87.2 1.0 CG A:GLU74 4.0 61.4 1.0 CA A:GLU74 4.3 34.1 1.0 OE1 A:GLU74 4.4 96.0 1.0 CD A:GLU74 4.5 90.4 1.0 N A:VAL75 4.5 31.0 1.0 NE A:ARG40 4.5 71.7 1.0 NH2 A:ARG40 4.5 88.2 1.0 NE2 A:GLN78 4.6 35.0 1.0 CD A:ARG40 4.6 62.9 1.0 CG2 A:VAL75 4.8 33.9 1.0 CA A:VAL75 4.8 25.4 1.0

Chlorine binding site 2 out of 4 in the Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:82.7 occ:1.00 NH1 A:ARG94 3.5 46.7 1.0 NH2 A:ARG94 3.6 46.2 1.0 CZ A:ARG94 4.0 51.5 1.0 O A:HOH530 5.0 62.1 1.0

Chlorine binding site 3 out of 4 in the Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl414 b:78.6 occ:1.00 CG2 A:THR44 3.3 59.0 1.0 CA A:THR44 3.8 55.5 1.0 N A:ALA45 4.1 47.2 1.0 CB A:THR44 4.1 63.1 1.0 C A:THR44 4.5 48.7 1.0 OG1 A:THR44 4.6 71.1 1.0 N A:THR44 4.9 43.3 1.0

Chlorine binding site 4 out of 4 in the Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Re-Refinement the Crystal Structure of DSCAM1 Isoform 1.34, N-Terminal Four Ig Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl421 b:77.6 occ:1.00 N A:THR229 3.6 45.2 1.0 CD2 A:HIS228 3.8 70.5 1.0 CA A:HIS228 4.1 50.4 1.0 CB A:HIS228 4.1 50.1 1.0 OG1 A:THR229 4.3 46.0 1.0 CG A:HIS228 4.3 58.1 1.0 CB A:THR229 4.3 44.1 1.0 C A:HIS228 4.3 45.2 1.0 CA A:THR229 4.5 36.6 1.0 O A:HOH597 4.7 50.5 1.0 O A:THR229 4.9 42.7 1.0

S.A.Li, L.Cheng, Y.Yu, Q.Chen. Structural Basis of DSCAM1 Homodimerization: Insights Into Context Constraint For Protein Recognition Sci Adv V. 2 01118 2016.
ISSN: ESSN 2375-2548
PubMed: 27386517
DOI: 10.1126/SCIADV.1501118