Arsenic in PDB 5zm5: Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution

The structure of Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution, PDB code: 5zm5 was solved by J.Dong, J.Wang, J.W.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.95 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.803, 135.803, 91.154, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 20.1

The binding sites of Arsenic atom in the Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution (pdb code 5zm5). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution, PDB code: 5zm5:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in the Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:As556 b:68.5 occ:1.00 AS A:CAS556 0.0 68.5 1.0 CE2 A:CAS556 2.0 38.4 1.0 CE1 A:CAS556 2.0 57.0 1.0 SG A:CAS556 2.3 60.2 1.0 CB A:CAS556 3.3 37.9 1.0 CG2 A:ILE564 4.2 45.2 1.0 CE A:MET566 4.4 39.6 1.0 SD A:MET566 4.4 44.4 1.0 CD A:PRO567 4.5 37.3 1.0 CD2 A:LEU553 4.6 31.6 1.0 CA A:MET566 4.6 37.0 1.0 CA A:CAS556 4.7 38.8 1.0

Arsenic binding site 2 out of 5 in the Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:As711 b:0.6 occ:1.00 AS A:CAS711 0.0 0.6 1.0 CE2 A:CAS711 2.0 48.6 1.0 CE1 A:CAS711 2.0 88.1 1.0 SG A:CAS711 2.3 79.7 1.0 CB A:CAS711 3.1 48.8 1.0 CE1 A:TYR725 3.4 62.6 1.0 OE2 A:GLU685 3.6 75.8 1.0 CG A:GLU685 3.7 59.1 1.0 OH A:TYR725 4.1 80.4 1.0 CZ A:TYR725 4.1 72.2 1.0 CD1 A:TYR725 4.1 56.0 1.0 CD A:GLU685 4.1 71.5 1.0 CE1 A:HIS713 4.2 48.3 1.0 CA A:CAS711 4.3 38.6 1.0 NE2 A:HIS713 4.8 47.0 1.0 OE1 A:GLU723 4.9 55.0 1.0

Arsenic binding site 3 out of 5 in the Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:As746 b:0.6 occ:1.00 AS A:CAS746 0.0 0.6 1.0 CE1 A:CAS746 2.0 87.2 1.0 CE2 A:CAS746 2.0 90.6 1.0 SG A:CAS746 2.2 75.8 1.0 CB A:CAS746 3.2 62.8 1.0 O A:GLY747 4.2 81.1 1.0 CA A:CAS746 4.6 60.4 1.0 CA A:GLY750 4.7 74.5 1.0 CG A:PRO819 4.7 59.4 1.0 CH2 A:TRP721 4.8 51.1 1.0 N A:GLY750 4.9 80.8 1.0 CD A:PRO819 4.9 55.5 1.0

Arsenic binding site 4 out of 5 in the Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:As769 b:0.1 occ:1.00 AS A:CAS769 0.0 0.1 1.0 CE1 A:CAS769 2.0 46.9 1.0 CE2 A:CAS769 2.0 61.3 1.0 SG A:CAS769 2.3 80.8 1.0 CB A:CAS769 3.3 51.0 1.0 O A:LEU768 3.8 48.5 1.0 NE2 A:GLN604 3.8 40.9 1.0 OG A:SER781 3.8 55.9 1.0 CA A:CAS769 3.9 51.4 1.0 CD A:GLN604 4.2 43.9 1.0 C A:LEU768 4.5 50.5 1.0 OE1 A:GLN604 4.5 63.5 1.0 N A:CAS769 4.6 54.2 1.0

Arsenic binding site 5 out of 5 in the Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of Human ORP1-Ord in Complex with Cholesterol at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:As778 b:0.3 occ:1.00 AS A:CAS778 0.0 0.3 1.0 CE2 A:CAS778 2.0 82.0 1.0 CE1 A:CAS778 2.0 68.3 1.0 SG A:CAS778 2.3 46.1 1.0 OE2 A:GLU777 3.3 59.9 1.0 CB A:CAS778 3.5 39.9 1.0 NH2 A:ARG835 3.8 37.7 1.0 CB A:GLU777 4.0 42.1 1.0 NH1 A:ARG835 4.1 42.9 1.0 O A:VAL824 4.1 66.0 1.0 CZ A:ARG835 4.1 43.4 1.0 CD A:GLU777 4.4 61.2 1.0 N A:VAL824 4.5 79.2 1.0 N A:CAS778 4.5 36.6 1.0 CE1 A:TYR780 4.5 42.8 1.0 CA A:CAS778 4.6 40.2 1.0 CG A:GLU777 4.9 49.4 1.0 C A:GLU777 4.9 42.2 1.0 CD1 A:TYR780 4.9 49.7 1.0 NE A:ARG835 5.0 44.6 1.0 C A:VAL824 5.0 72.0 1.0 CB A:SER823 5.0 65.8 1.0

J.Dong, X.Du, H.Wang, J.Wang, C.Lu, X.Chen, Z.Zhu, Z.Luo, L.Yu, A.J.Brown, H.Yang, J.W.Wu. Allosteric Enhancement of ORP1-Mediated Cholesterol Transport By Pi(4,5)P2/Pi(3,4)P2. Nat Commun V. 10 829 2019.
ISSN: ESSN 2041-1723
PubMed: 30783101
DOI: 10.1038/S41467-019-08791-0