Chlorine in PDB 5dju: Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3

The structure of Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3, PDB code: 5dju was solved by M.Tarnawski, H.Wang, H.Yumerefendi, K.M.Hahn, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.25 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.240, 74.500, 81.910, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3 (pdb code 5dju). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3, PDB code: 5dju:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3


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 LOV2 (C450A) Domain in Complex with ZDK3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:32.0 occ:1.00 OG1 A:THR407 3.1 28.4 1.0 NE1 B:TRP18 3.1 35.6 1.0 NE A:ARG410 3.2 44.8 1.0 O B:HOH122 3.4 18.8 1.0 N A:THR407 3.6 25.3 1.0 CA A:THR407 3.7 26.5 1.0 O A:ALA405 3.7 26.2 1.0 CB A:THR407 3.9 30.6 1.0 NH2 A:ARG410 4.0 30.7 1.0 NE2 B:GLN14 4.0 30.9 1.0 CD1 B:TRP18 4.0 41.3 1.0 CZ A:ARG410 4.0 38.3 1.0 CD A:ARG410 4.0 39.0 1.0 C A:THR406 4.1 29.6 1.0 CE2 B:TRP18 4.1 35.3 1.0 CG B:GLN14 4.4 25.0 1.0 CZ2 B:TRP18 4.5 38.3 1.0 CG2 A:THR407 4.5 29.5 1.0 CA A:THR406 4.6 27.2 1.0 CD B:GLN14 4.7 28.5 1.0 O A:THR406 4.7 24.2 1.0 C A:ALA405 4.8 24.8 1.0 CG A:ARG410 5.0 28.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3


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 LOV2 (C450A) Domain in Complex with ZDK3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:33.2 occ:1.00 O3' A:FMN601 3.1 33.7 1.0 ND2 A:ASN449 3.2 19.5 1.0 ND2 A:ASN425 3.4 26.4 1.0 CB A:ASN425 3.7 23.2 1.0 CD1 A:ILE470 3.7 20.6 1.0 C3' A:FMN601 3.8 29.6 1.0 O2' A:FMN601 3.9 27.4 1.0 CG A:ASN425 4.1 27.9 1.0 CG A:ASN449 4.3 24.1 1.0 O A:ASN425 4.3 26.0 1.0 O A:HOH730 4.4 26.8 1.0 C2' A:FMN601 4.5 29.2 1.0 CG2 A:ILE470 4.5 25.5 1.0 O A:ASP424 4.5 31.6 1.0 O5' A:FMN601 4.6 28.6 1.0 OD1 A:ASN449 4.6 27.3 1.0 C8M A:FMN601 4.7 18.1 1.0 C9 A:FMN601 4.9 12.5 1.0 CA A:ASN425 4.9 25.1 1.0 CG1 A:ILE470 4.9 32.5 1.0 C5' A:FMN601 5.0 31.4 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3


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 LOV2 (C450A) Domain in Complex with ZDK3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:34.8 occ:1.00 NH1 A:ARG410 3.5 33.7 1.0 CD A:ARG410 3.8 39.0 1.0 CG A:ARG410 3.9 28.6 1.0 CB A:ARG410 4.1 28.9 1.0 O A:HOH752 4.1 32.1 1.0 CZ A:ARG410 4.5 38.3 1.0 OE2 A:GLU412 4.6 72.7 1.0 NE A:ARG410 4.6 44.8 1.0 CA A:ARG410 4.8 27.3 1.0 O A:ARG410 4.9 30.0 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3


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 LOV2 (C450A) Domain in Complex with ZDK3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:27.7 occ:1.00 OG1 C:THR407 3.2 27.4 1.0 NE C:ARG410 3.3 27.3 1.0 NE1 D:TRP18 3.3 32.3 1.0 N C:THR407 3.5 29.2 1.0 NE2 D:GLN14 3.6 32.3 1.0 O C:ALA405 3.6 25.5 1.0 CA C:THR407 3.8 26.0 1.0 NH2 C:ARG410 3.8 27.5 1.0 C C:THR406 4.0 26.0 1.0 CZ C:ARG410 4.0 27.5 1.0 CB C:THR407 4.0 31.2 1.0 CD1 D:TRP18 4.0 36.5 1.0 CD C:ARG410 4.2 31.5 1.0 CG D:GLN14 4.2 30.9 1.0 CD D:GLN14 4.4 29.8 1.0 CE2 D:TRP18 4.4 26.2 1.0 CA C:THR406 4.5 24.4 1.0 O C:THR406 4.5 24.5 1.0 CG2 C:THR407 4.7 27.9 1.0 C C:ALA405 4.7 25.1 1.0 CZ2 D:TRP18 4.9 26.8 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of LOV2 (C450A) Domain in Complex with ZDK3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl603 b:32.6 occ:1.00 O C:HOH732 3.0 33.1 1.0 ND2 C:ASN449 3.0 33.5 1.0 O3' C:FMN601 3.0 25.2 1.0 ND2 C:ASN425 3.2 24.0 1.0 O C:HOH768 3.6 40.2 1.0 CB C:ASN425 3.7 26.1 1.0 C3' C:FMN601 3.7 22.8 1.0 O2' C:FMN601 3.9 25.6 1.0 CD1 C:ILE470 3.9 38.2 1.0 CG C:ASN425 3.9 26.5 1.0 O C:HOH719 4.1 18.2 1.0 CG C:ASN449 4.1 32.6 1.0 OD1 C:ASN449 4.3 24.1 1.0 C2' C:FMN601 4.5 28.8 1.0 O C:ASN425 4.5 28.1 1.0 O5' C:FMN601 4.6 30.8 1.0 CG2 C:ILE470 4.7 32.4 1.0 O C:ASP424 4.7 29.1 1.0 C8M C:FMN601 4.7 27.1 1.0 CA C:ASN425 4.9 24.6 1.0 C9 C:FMN601 5.0 23.9 1.0

H.Wang, M.Vilela, A.Winkler, M.Tarnawski, I.Schlichting, H.Yumerefendi, B.Kuhlman, R.Liu, G.Danuser, K.M.Hahn. Lovtrap: An Optogenetic System For Photoinduced Protein Dissociation. Nat.Methods V. 13 755 2016.
ISSN: ESSN 1548-7105
PubMed: 27427858
DOI: 10.1038/NMETH.3926