Chlorine in PDB 3gj9: Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3

The structure of Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3, PDB code: 3gj9 was solved by Y.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.27 / 2.80
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.457, 86.457, 101.517, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 27

The structure of Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3 (pdb code 3gj9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3, PDB code: 3gj9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3


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 Tip-1 in Complex with C-Terminal of KIR2.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl126 b:95.9 occ:1.00 O A:ARG106 3.3 46.4 1.0 NE2 A:GLN79 3.3 63.7 1.0 N A:GLY82 3.6 55.9 1.0 NH1 A:ARG15 3.6 80.9 1.0 N A:ASN81 3.8 51.9 1.0 CB A:ARG106 3.9 46.2 1.0 CA A:ASN81 4.0 52.8 1.0 C A:ARG106 4.1 45.8 1.0 C A:ASN81 4.2 54.7 1.0 CD A:GLN79 4.4 62.5 1.0 CG A:GLN79 4.4 59.9 1.0 CA A:GLY82 4.5 57.4 1.0 CA A:ARG106 4.6 45.0 1.0 C A:VAL80 4.7 51.0 1.0 CZ A:ARG15 4.8 81.8 1.0 O A:GLN79 4.9 52.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3


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 Tip-1 in Complex with C-Terminal of KIR2.3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl127 b:81.2 occ:1.00 N A:ILE73 3.2 44.6 1.0 NE B:ARG106 3.2 48.1 1.0 CG1 A:ILE73 3.4 46.1 1.0 CD B:ARG106 3.5 47.4 1.0 CA A:GLN72 3.6 46.7 1.0 C A:GLN72 3.9 46.1 1.0 CB A:ILE73 4.0 47.8 1.0 CD1 A:ILE73 4.0 46.8 1.0 CZ B:ARG106 4.1 47.4 1.0 CB A:GLN72 4.1 48.9 1.0 CA A:ILE73 4.2 46.2 1.0 CG A:GLN72 4.3 54.0 1.0 CG2 A:VAL60 4.4 35.9 1.0 CB A:VAL60 4.4 39.6 1.0 O A:LEU71 4.4 44.8 1.0 NH2 B:ARG106 4.5 50.6 1.0 CL B:CL128 4.6 0.1 1.0 CG B:ARG106 4.7 46.4 1.0 CB B:ARG106 4.7 46.7 1.0 N A:GLN72 4.8 45.6 1.0 CG1 A:VAL60 4.9 39.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3


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 Tip-1 in Complex with C-Terminal of KIR2.3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl128 b:0.1 occ:1.00 NE2 B:GLN79 3.1 66.5 1.0 O B:ARG106 3.5 48.4 1.0 N B:GLY82 3.6 57.3 1.0 NH1 B:ARG15 3.7 81.7 1.0 N B:ASN81 4.0 54.5 1.0 CD B:GLN79 4.1 65.4 1.0 CB B:ARG106 4.2 46.7 1.0 CA B:ASN81 4.2 53.6 1.0 CG B:GLN79 4.3 63.2 1.0 C B:ARG106 4.3 48.5 1.0 C B:ASN81 4.4 55.0 1.0 CA B:GLY82 4.5 58.5 1.0 CL A:CL127 4.6 81.2 1.0 CZ B:ARG15 4.8 81.7 1.0 C B:VAL80 4.8 54.6 1.0 CA B:ARG106 4.8 47.7 1.0 O B:GLN79 5.0 58.0 1.0 OE1 A:GLN72 5.0 62.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Tip-1 in Complex with C-Terminal of KIR2.3


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 Tip-1 in Complex with C-Terminal of KIR2.3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl129 b:80.2 occ:1.00 N B:ILE73 3.3 49.2 1.0 CG1 B:ILE73 3.4 51.4 1.0 CA B:GLN72 3.9 48.3 1.0 CD1 B:ILE73 3.9 51.7 1.0 CB B:ILE73 4.0 50.6 1.0 C B:GLN72 4.1 49.2 1.0 CB B:GLN72 4.2 48.7 1.0 CA B:ILE73 4.2 49.7 1.0 CG B:GLN72 4.4 52.7 1.0 CG2 B:VAL60 4.8 42.7 1.0 CB B:VAL60 4.8 45.0 1.0 O B:LEU71 4.8 47.1 1.0

X.Yan, H.Zhou, J.Zhang, C.Shi, X.Xie, Y.Wu, C.Tian, Y.Shen, J.Long. Molecular Mechanism of Inward Rectifier Potassium Channel 2.3 Regulation By Tax-Interacting Protein-1 J.Mol.Biol. V. 392 967 2009.
ISSN: ISSN 0022-2836
PubMed: 19635485
DOI: 10.1016/J.JMB.2009.07.060