Chlorine in PDB 2x68: The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), 7-Cl-L-Tryptophan and Cyanide

The structure of The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), 7-Cl-L-Tryptophan and Cyanide, PDB code: 2x68 was solved by X.Zhu, K.-H.Van Pee, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.22 / 2.13
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.427, 79.525, 92.303, 90.00, 103.30, 90.00
R / Rfree (%)	16.5 / 19.9

The structure of The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), 7-Cl-L-Tryptophan and Cyanide also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), 7-Cl-L-Tryptophan and Cyanide (pdb code 2x68). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), 7-Cl-L-Tryptophan and Cyanide, PDB code: 2x68:

Chlorine binding site 1 out of 1 in the The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), 7-Cl-L-Tryptophan and Cyanide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), 7-Cl-L-Tryptophan and Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1360 b:12.0 occ:1.00 CL A:CTE1360 0.0 12.0 1.0 CZ2 A:CTE1360 1.8 10.8 1.0 CE2 A:CTE1360 2.7 11.7 1.0 CH2 A:CTE1360 2.8 10.2 1.0 NE1 A:CTE1360 3.2 10.4 1.0 O A:HOH2197 4.0 7.5 1.0 CG2 A:VAL117 4.0 9.4 1.0 CD2 A:CTE1360 4.0 10.6 1.0 CZ3 A:CTE1360 4.1 10.9 1.0 CE1 A:TYR209 4.2 9.5 1.0 CZ A:TYR209 4.2 11.3 1.0 CB A:PRO222 4.2 10.4 1.0 CD2 A:LEU140 4.2 9.5 1.0 OH A:TYR209 4.2 11.6 1.0 O A:PRO222 4.2 11.1 1.0 CD1 A:LEU114 4.2 3.4 1.0 C A:PRO222 4.3 10.3 1.0 N A:GLY223 4.4 9.8 1.0 CD1 A:CTE1360 4.5 11.5 1.0 CA A:GLY223 4.5 8.6 1.0 CE3 A:CTE1360 4.6 11.4 1.0 CG A:PRO222 4.7 10.3 1.0 CD1 A:TYR209 4.8 10.7 1.0 CG A:LEU140 4.8 10.2 1.0 CD2 A:LEU141 4.8 9.0 1.0 CE2 A:TYR209 4.8 10.4 1.0 CA A:PRO222 4.9 10.3 1.0 CG A:CTE1360 4.9 11.5 1.0

X.Zhu, K.-H.Van Pee, J.H.Naismith. The Ternary Complex of Prnb (the Second Enzyme in Pyrrolnitrin Biosynthesis Pathway), Tryptophan and Cyanide Yields New Mechanistic Insights Into the Indolamine Dioxygenase Superfamily. J.Biol.Chem. V. 285 21126 2010.
ISSN: ISSN 0021-9258
PubMed: 20421301
DOI: 10.1074/JBC.M110.120485