Chlorine in PDB 6i3v: X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1

The structure of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1, PDB code: 6i3v was solved by J.L.Berry, X.Miliara, R.M.L.Morgan, S.J.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.64 / 1.98
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	127.312, 127.312, 177.390, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 24.5

The structure of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 (pdb code 6i3v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1, PDB code: 6i3v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


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 Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl202 b:75.2 occ:1.00 O F:HOH378 3.3 50.3 1.0 O F:TRP35 3.4 32.1 1.0 OE2 F:GLU49 3.5 36.6 1.0 NH2 F:ARG66 3.5 34.7 1.0 O A:HOH118 3.6 37.4 1.0 CE3 F:TRP35 3.7 32.2 1.0 CD F:GLU49 3.8 33.8 1.0 CD1 F:ILE51 3.8 30.9 1.0 CD F:ARG66 3.9 31.2 1.0 OE1 F:GLU49 4.0 32.1 1.0 CA F:TRP35 4.2 27.5 1.0 C F:TRP35 4.3 29.4 1.0 CB F:TRP35 4.3 27.8 1.0 O F:HOH319 4.3 33.1 1.0 CZ F:ARG66 4.4 35.1 1.0 OD1 A:ASP29 4.4 38.6 1.0 CG1 F:ILE51 4.4 31.7 1.0 O A:HOH119 4.5 38.8 1.0 O F:HOH311 4.5 35.2 1.0 OD2 A:ASP29 4.5 36.1 1.0 CZ3 F:TRP35 4.5 28.5 1.0 NE F:ARG66 4.6 31.2 1.0 CD2 F:TRP35 4.6 28.0 1.0 CG A:ASP29 4.6 37.7 1.0 CG F:GLU49 4.6 30.1 1.0 NZ A:LYS25 4.7 33.1 1.0 CG F:TRP35 4.9 28.9 1.0

Chlorine binding site 2 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


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 Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl203 b:81.6 occ:1.00 CB F:ALA154 4.1 23.0 1.0 CG2 F:VAL151 4.9 33.5 1.0

Chlorine binding site 3 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl204 b:59.1 occ:1.00 O F:HOH418 2.8 64.5 1.0 N F:HIS114 3.0 28.1 1.0 CA F:HIS114 3.6 33.1 1.0 CB F:ASN113 3.8 28.2 1.0 C F:ASN113 4.1 31.7 1.0 O F:HOH398 4.1 24.4 1.0 O F:HOH394 4.1 33.2 1.0 CG F:HIS114 4.1 32.7 1.0 ND2 F:ASN113 4.2 28.9 1.0 ND1 F:HIS114 4.2 34.1 1.0 CG F:ASN113 4.3 29.6 1.0 CA F:ASN113 4.3 32.7 1.0 CD2 F:HIS114 4.4 30.3 1.0 CB F:HIS114 4.5 31.0 1.0 ND2 F:ASN85 4.5 36.9 1.0 CE1 F:HIS114 4.5 36.1 1.0 NE2 F:HIS114 4.6 32.9 1.0 O F:HOH439 4.7 59.6 1.0 C F:HIS114 4.7 32.8 1.0 N F:ALA115 5.0 33.2 1.0 CB F:HIS88 5.0 44.9 1.0

Chlorine binding site 4 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:0.2 occ:1.00 NA B:NA203 2.8 99.5 1.0 CD B:LYS44 4.9 67.6 1.0

Chlorine binding site 5 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:80.5 occ:1.00 CB B:ALA154 4.1 28.4 1.0 O B:HOH357 4.4 46.6 1.0 CG2 B:VAL151 4.5 28.0 1.0 CA B:VAL151 4.7 29.0 1.0 O B:GLY150 4.7 31.9 1.0 N B:VAL151 5.0 30.9 1.0 C B:GLY150 5.0 33.6 1.0

Chlorine binding site 6 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl207 b:64.3 occ:1.00 O B:HOH395 2.5 57.5 1.0 N B:HIS114 3.1 34.7 1.0 O B:HOH349 3.6 52.3 1.0 CA B:HIS114 3.6 31.8 1.0 CB B:ASN113 3.8 33.2 1.0 ND2 B:ASN113 4.1 34.0 1.0 CG B:HIS114 4.1 32.8 1.0 C B:ASN113 4.2 33.0 1.0 ND1 B:HIS114 4.2 34.6 1.0 CD2 B:HIS114 4.2 32.9 1.0 CG B:ASN113 4.2 33.3 1.0 O B:HOH381 4.3 40.3 1.0 NE2 B:HIS114 4.4 36.9 1.0 CE1 B:HIS114 4.4 37.4 1.0 CA B:ASN113 4.4 34.3 1.0 CB B:HIS114 4.5 30.1 1.0 ND2 B:ASN85 4.5 39.6 1.0 NA B:NA204 4.6 68.8 1.0 CG B:HIS88 4.8 55.1 1.0 CB B:HIS88 4.8 46.1 1.0 C B:HIS114 4.9 29.3 1.0 O B:HOH391 5.0 62.4 1.0

Chlorine binding site 7 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl208 b:93.2 occ:1.00 CA B:ARG162 3.9 30.6 1.0 N B:ARG162 4.2 27.4 1.0 CB B:ARG162 4.2 32.9 1.0 C B:ALA161 4.4 29.8 1.0 O B:ALA161 4.4 28.3 1.0 CG B:ARG162 4.5 35.9 1.0 CB B:SER165 4.7 34.4 1.0 CE1 B:PHE158 4.7 40.8 1.0 CB B:ALA161 4.7 25.2 1.0 OG B:SER165 4.8 43.6 1.0

Chlorine binding site 8 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl209 b:0.4 occ:1.00 O B:HOH382 2.8 65.2 1.0 NA B:NA202 3.1 94.4 1.0 O B:PRO100 3.7 47.8 1.0 O C:LEU41 3.9 56.7 1.0 C B:PRO100 4.4 47.4 1.0 CH2 B:TRP27 4.5 49.2 1.0 CZ2 B:TRP27 4.6 51.0 1.0 NE2 B:GLN103 4.7 61.3 1.0 CB B:PRO100 4.7 46.9 1.0 CA B:GLN101 4.9 60.3 1.0 C C:LEU41 5.0 57.9 1.0 C C:LYS42 5.0 66.8 1.0

Chlorine binding site 9 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl210 b:68.9 occ:1.00 CB B:ALA84 3.8 49.6 1.0 CD B:PRO83 3.8 45.4 1.0 N B:ALA84 4.0 49.2 1.0 N B:PRO83 4.3 45.8 1.0 CA B:ALA84 4.6 50.8 1.0 CG B:PRO83 4.6 47.5 1.0 O B:LEU81 4.7 40.0 1.0 C B:PHE82 4.7 42.1 1.0 CA B:PHE82 4.7 36.0 1.0 CB B:PRO83 5.0 46.5 1.0 C B:PRO83 5.0 48.1 1.0

Chlorine binding site 10 out of 13 in the X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Structure of the Human Mitochondrial PRELID1 in Complex with TRIAP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl211 b:57.0 occ:1.00 O B:HOH312 2.6 53.6 1.0 NH2 B:ARG73 3.5 57.7 1.0 CD B:LYS70 3.8 41.2 1.0 C8 B:MYR201 4.0 30.8 1.0 O B:HOH301 4.2 53.9 1.0 CZ B:ARG73 4.5 58.0 1.0 C9 B:MYR201 4.5 31.3 1.0 CB B:LYS70 4.5 33.6 1.0 NE B:ARG73 4.7 57.0 1.0 CD2 B:HIS45 4.7 44.1 1.0 O B:THR71 4.7 44.1 1.0 NZ B:LYS70 4.7 51.9 1.0 CG B:LYS70 4.8 38.2 1.0 C7 B:MYR201 4.8 26.6 1.0 C10 B:MYR201 4.9 32.8 1.0 CE B:LYS70 4.9 46.4 1.0

X.Miliara, T.Tatsuta, J.L.Berry, S.L.Rouse, K.Solak, D.S.Chorev, D.Wu, C.V.Robinson, S.Matthews, T.Langer. Structural Determinants of Lipid Specificity Within Ups/Preli Lipid Transfer Proteins. Nat Commun V. 10 1130 2019.
ISSN: ESSN 2041-1723
PubMed: 30850607
DOI: 10.1038/S41467-019-09089-X