Chlorine in PDB 5wo1: Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled)

The structure of Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled), PDB code: 5wo1 was solved by S.Horowitz, P.Koldewey, R.Martin, J.C.A.Bardwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.47 / 1.87
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	43.090, 43.090, 258.669, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 24.8

The structure of Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled) also contains other interesting chemical elements:

Zinc

(Zn)

32 atoms

The binding sites of Chlorine atom in the Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled) (pdb code 5wo1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled), PDB code: 5wo1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:31.2 occ:1.00 ZN A:ZN215 2.2 27.6 1.0 HN3 B:IMD204 2.4 23.8 0.9 HH21 A:ARG62 2.6 42.9 0.5 HA A:ARG62 3.0 35.2 0.5 HA A:ARG62 3.0 35.3 0.5 HD1 B:PHE119 3.0 35.6 1.0 HB3 A:ARG61 3.1 53.9 0.8 N3 B:IMD204 3.1 19.9 0.9 HB2 A:HIS65 3.1 31.6 1.0 HE1 B:PHE119 3.1 46.1 1.0 O B:HOH313 3.2 41.8 1.0 NH2 A:ARG62 3.3 35.8 0.5 HG2 A:ARG62 3.3 58.2 0.5 HH22 A:ARG62 3.4 42.9 0.5 OE1 B:GLU120 3.6 35.5 1.0 HD3 A:ARG62 3.6 41.9 0.5 ND1 A:HIS65 3.7 31.8 1.0 OE2 B:GLU120 3.7 31.6 1.0 CD1 B:PHE119 3.7 29.6 1.0 HG2 A:ARG62 3.7 42.3 0.5 O A:ARG61 3.7 28.3 1.0 CE1 B:PHE119 3.7 38.5 1.0 C4 B:IMD204 3.8 35.1 0.9 CA A:ARG62 3.8 29.4 0.5 CA A:ARG62 3.8 29.4 0.5 C A:ARG61 3.8 29.9 0.9 H4 B:IMD204 3.8 42.1 0.9 N A:ARG62 3.8 32.6 0.5 CB A:HIS65 3.8 26.3 1.0 N A:ARG62 3.9 33.4 0.5 C2 B:IMD204 3.9 39.9 0.9 HG3 A:ARG62 3.9 58.2 0.5 HN3 B:IMD203 3.9 38.0 0.2 CB A:ARG61 4.0 44.9 1.0 HB3 A:HIS65 4.0 31.6 1.0 CG A:ARG62 4.0 48.5 0.5 CD B:GLU120 4.0 38.9 1.0 H2 B:IMD204 4.1 47.8 0.9 CG A:HIS65 4.2 29.4 1.0 HE A:ARG61 4.2 64.9 0.8 HB2 A:ARG61 4.2 53.9 0.7 HA B:GLU120 4.2 37.8 1.0 CG A:ARG62 4.3 35.2 0.5 N3 B:IMD203 4.3 31.7 0.2 H A:ARG62 4.3 40.0 0.7 H4 B:IMD203 4.3 21.5 0.2 CD A:ARG62 4.3 34.9 0.5 CZ A:ARG62 4.4 39.6 0.5 CB A:ARG62 4.5 42.0 0.5 CB A:ARG62 4.5 40.4 0.5 C4 B:IMD203 4.5 17.9 0.2 HB3 A:ARG62 4.5 50.4 0.5 CA A:ARG61 4.6 41.1 1.0 H A:HIS65 4.7 32.4 1.0 CE1 A:HIS65 4.7 30.2 1.0 NE A:ARG61 4.8 54.1 1.0 HD2 A:ARG61 4.8 76.7 0.7 O B:PHE119 4.8 35.8 1.0 C5 B:IMD204 4.8 31.2 0.9 NE A:ARG62 4.9 38.8 0.5 N1 B:IMD204 4.9 31.0 0.9 O B:HOH317 4.9 37.6 1.0 C A:ARG62 4.9 28.0 0.5 C A:ARG62 4.9 28.0 0.5 CG A:ARG61 5.0 65.2 0.9 HG3 A:ARG61 5.0 78.3 0.7 HE1 A:HIS65 5.0 36.2 1.0

Chlorine binding site 2 out of 2 in the Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chaperone Spy H96L Bound to IM7 L18A L19A L37A (IM7 Un-Modeled) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:39.7 occ:1.00 ZN A:ZN202 2.3 30.9 1.0 HD1 A:PHE119 3.0 52.8 1.0 HA B:ARG62 3.0 53.5 1.0 HE1 A:PHE119 3.0 57.8 1.0 HG2 B:ARG61 3.1 77.2 1.0 HB2 B:HIS65 3.2 35.1 1.0 HN1 A:IMD201 3.4 43.7 1.0 OE2 A:GLU120 3.4 38.1 1.0 H2 A:IMD201 3.5 45.9 1.0 HE B:ARG62 3.6 74.8 1.0 CD1 A:PHE119 3.6 44.0 1.0 CE1 A:PHE119 3.7 48.1 1.0 ND1 B:HIS65 3.7 30.0 1.0 CA B:ARG62 3.8 44.6 1.0 O B:ARG61 3.8 37.5 1.0 N1 A:IMD201 3.9 36.4 1.0 HG3 B:ARG62 3.9 70.4 1.0 C2 A:IMD201 3.9 38.3 1.0 CB B:HIS65 3.9 29.3 1.0 N B:ARG62 3.9 40.2 1.0 HB3 B:ARG61 4.0 69.1 1.0 CG B:ARG61 4.0 64.3 1.0 C B:ARG61 4.0 40.8 1.0 HB3 B:HIS65 4.0 35.1 1.0 OE1 A:GLU120 4.1 54.5 1.0 CD A:GLU120 4.1 57.8 1.0 HA A:GLU120 4.1 43.9 1.0 CG B:HIS65 4.2 30.2 1.0 HE B:ARG61 4.3 0.3 1.0 HD3 B:ARG61 4.3 98.0 1.0 HH21 B:ARG62 4.3 80.2 1.0 H B:ARG62 4.4 48.3 1.0 NE B:ARG62 4.4 62.4 1.0 CB B:ARG61 4.4 57.6 1.0 HB2 B:ARG62 4.5 61.8 1.0 CD B:ARG61 4.5 81.6 1.0 NE B:ARG61 4.5 84.4 1.0 CB B:ARG62 4.6 51.5 1.0 CG B:ARG62 4.6 58.6 1.0 HG3 B:ARG61 4.7 77.2 1.0 H B:HIS65 4.7 37.9 1.0 CE1 B:HIS65 4.8 28.9 1.0 O A:PHE119 4.8 41.6 1.0 CA B:ARG61 4.9 68.1 1.0 CG A:PHE119 4.9 45.1 1.0 C B:ARG62 5.0 43.7 1.0

S.Horowitz, L.Salmon, P.Koldewey, L.S.Ahlstrom, R.Martin, S.Quan, P.V.Afonine, H.Van Den Bedem, L.Wang, Q.Xu, R.C.Trievel, C.L.Brooks, J.C.Bardwell. Visualizing Chaperone-Assisted Protein Folding. Nat. Struct. Mol. Biol. V. 23 691 2016.
ISSN: ESSN 1545-9985
PubMed: 27239796
DOI: 10.1038/NSMB.3237