Chlorine in PDB 4k2f: Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488

All present enzymatic activity of Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488:
3.5.1.97;

The structure of Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488, PDB code: 4k2f was solved by E.J.Drake, J.M.Wurst, J.R.Theriault, B.Munoz, A.M.Gulick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.69 / 1.99
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	120.280, 166.020, 94.190, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.6

The binding sites of Chlorine atom in the Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488 (pdb code 4k2f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488, PDB code: 4k2f:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl805 b:19.8 occ:1.00 CL1 B:A08805 0.0 19.8 1.0 C1 B:A08805 1.8 17.7 1.0 C6 B:A08805 2.7 18.4 1.0 C2 B:A08805 2.8 17.8 1.0 CG2 B:VAL374 3.6 14.8 1.0 CG2 A:THR166 3.7 11.4 1.0 CD1 B:LEU269 3.8 19.1 1.0 C5 B:A08805 4.0 16.7 1.0 O A:THR166 4.0 13.8 1.0 CG1 B:VAL374 4.1 11.1 1.0 C3 B:A08805 4.1 17.8 1.0 CB A:LEU169 4.1 11.6 1.0 CD2 B:LEU375 4.2 14.3 1.0 CA A:THR166 4.2 12.1 1.0 CD1 A:LEU169 4.3 16.5 1.0 CD2 B:LEU269 4.4 20.8 1.0 CB A:THR166 4.4 13.3 1.0 C4 B:A08805 4.5 18.0 1.0 CB B:VAL374 4.5 13.9 1.0 OG1 A:THR166 4.6 13.5 1.0 C A:THR166 4.6 14.2 1.0 CG B:LEU269 4.8 17.7 1.0 CG A:LEU169 4.9 15.6 1.0 CG A:LEU170 5.0 14.1 1.0

Chlorine binding site 2 out of 2 in the Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Pseudomonas Aeruginosa Pvdq Bound to Brd-A08522488 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl805 b:27.8 occ:0.50 CL2 B:A08805 0.0 27.8 0.5 C12 B:A08805 1.7 30.2 1.0 C11 B:A08805 2.5 28.1 1.0 N14 B:A08805 2.6 27.7 1.0 CD2 B:HIS284 3.7 14.6 1.0 CB B:HIS284 3.7 12.3 1.0 C8 B:A08805 3.7 25.2 1.0 C10 B:A08805 3.7 34.2 1.0 CG B:HIS284 3.9 14.0 1.0 CG1 B:ILE274 4.0 12.1 1.0 CD1 B:ILE274 4.0 16.0 1.0 C9 B:A08805 4.2 33.4 1.0 CB B:ASN273 4.4 19.2 1.0 CZ B:PHE248 4.4 18.2 1.0 CZ2 B:TRP378 4.5 19.9 1.0 CE2 B:PHE248 4.7 21.5 1.0 O B:ASN273 4.7 17.2 1.0 NE2 B:HIS284 4.8 16.9 1.0 CG1 B:VAL403 4.8 13.8 1.0 CG2 B:VAL403 4.9 13.2 1.0 CZ B:PHE240 4.9 19.8 1.0 C B:ASN273 4.9 14.6 1.0 CE1 B:PHE240 4.9 18.3 1.0 CH2 B:TRP378 5.0 18.6 1.0

J.M.Wurst, E.J.Drake, J.R.Theriault, I.T.Jewett, L.Verplank, J.R.Perez, S.Dandapani, M.Palmer, S.M.Moskowitz, S.L.Schreiber, B.Munoz, A.M.Gulick. Identification of Inhibitors of Pvdq, An Enzyme Involved in the Synthesis of the Siderophore Pyoverdine. Acs Chem.Biol. V. 9 1536 2014.
ISSN: ISSN 1554-8929
PubMed: 24824984
DOI: 10.1021/CB5001586