Chlorine in PDB 2wkq: Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant

The structure of Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant, PDB code: 2wkq was solved by Y.I.Wu, D.Frey, O.I.Lungu, A.Jaehrig, I.Schlichting, B.Kuhlman, K.M.Hahn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.89 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.638, 112.638, 69.306, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 18.7

The structure of Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant (pdb code 2wkq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant, PDB code: 2wkq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1725 b:23.5 occ:0.92 O A:HOH2258 3.0 44.6 1.0 OG A:SER626 3.0 14.5 1.0 NZ A:LYS659 3.1 18.4 1.0 CB A:SER626 3.5 13.5 1.0 CD A:LYS659 3.8 14.7 1.0 O A:HOH2158 3.8 38.7 1.0 CE A:LYS659 3.9 17.9 1.0 CG2 A:VAL628 3.9 18.1 1.0 CB A:SER629 3.9 16.7 1.0 O A:HOH2316 4.4 36.1 1.0 O A:ALA556 4.5 17.9 1.0 O A:HOH2273 4.5 36.0 1.0 N A:SER629 4.5 14.9 1.0 C A:VAL628 4.6 18.1 1.0 O A:VAL628 4.6 17.9 1.0 O A:HOH2318 4.7 29.6 1.0 CA A:SER629 4.8 13.5 1.0 OG A:SER629 5.0 17.8 1.0

Chlorine binding site 2 out of 3 in the Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1726 b:24.5 occ:0.87 ND2 A:ASN425 3.1 20.1 1.0 O3' A:FMN1723 3.1 14.1 1.0 NH1 A:ARG467 3.1 13.6 0.4 ND2 A:ASN449 3.2 15.4 1.0 O A:HOH2018 3.2 26.9 1.0 CB A:ASN425 3.6 13.1 1.0 CD1 A:ILE470 3.7 16.7 1.0 CG A:ASN425 3.8 15.7 1.0 NH2 A:ARG467 3.8 17.5 0.4 C3' A:FMN1723 3.8 12.8 1.0 O2' A:FMN1723 3.8 12.7 1.0 CZ A:ARG467 3.9 18.4 0.4 O A:HOH2020 4.1 14.8 1.0 CG A:ASN449 4.3 13.1 1.0 O A:HOH2394 4.4 33.7 1.0 C2' A:FMN1723 4.5 11.2 1.0 CG2 A:ILE470 4.5 17.2 1.0 OD1 A:ASN449 4.5 12.9 1.0 C8M A:FMN1723 4.6 16.0 1.0 O A:ASP424 4.7 16.8 1.0 O A:ASN425 4.7 14.3 1.0 O5' A:FMN1723 4.7 15.7 1.0 C9 A:FMN1723 4.8 12.0 1.0 CG1 A:ILE470 4.8 16.2 1.0 O A:HOH2139 4.9 43.8 1.0 CA A:ASN425 4.9 12.9 1.0

Chlorine binding site 3 out of 3 in the Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Photoactivatable RAC1 Containing the LOV2 C450A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1727 b:26.1 occ:0.93 OG1 A:THR704 3.0 17.3 1.0 O A:HOH2280 3.0 32.9 1.0 NH1 A:ARG706 3.3 54.7 1.0 CA A:ASP661 3.7 16.4 1.0 CB A:ASP661 3.7 17.5 1.0 CG2 A:THR704 3.8 19.7 1.0 CB A:ARG706 3.8 19.5 1.0 N A:ASP661 3.9 15.4 1.0 CD A:ARG706 3.9 39.5 1.0 CB A:THR704 3.9 17.1 1.0 CB A:SER701 3.9 15.5 1.0 CG A:ARG706 4.3 25.0 1.0 CG A:LEU660 4.3 16.3 1.0 CZ A:ARG706 4.4 56.1 1.0 OG A:SER701 4.4 16.2 1.0 CD2 A:LEU660 4.4 16.8 1.0 C A:LEU660 4.4 15.5 1.0 NE A:ARG706 4.6 50.8 1.0 CB A:LEU660 4.7 14.8 1.0 O A:LEU660 4.8 18.5 1.0 O A:HOH2319 4.8 42.8 1.0 O A:HOH2324 5.0 39.5 1.0

Y.I.Wu, D.Frey, O.I.Lungu, A.Jaehrig, I.Schlichting, B.Kuhlman, K.M.Hahn. A Genetically Encoded Photoactivatable Rac Controls the Motility of Living Cells. Nature V. 461 104 2009.
ISSN: ISSN 0028-0836
PubMed: 19693014
DOI: 10.1038/NATURE08241