Chlorine in PDB 2jkc: Crystal Structure of E346D of Tryptophan 7-Halogenase (Prna)

All present enzymatic activity of Crystal Structure of E346D of Tryptophan 7-Halogenase (Prna):
1.14.19.9;

The structure of Crystal Structure of E346D of Tryptophan 7-Halogenase (Prna), PDB code: 2jkc was solved by X.Zhu, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.13 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.360, 68.360, 276.630, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 21

The binding sites of Chlorine atom in the Crystal Structure of E346D of Tryptophan 7-Halogenase (Prna) (pdb code 2jkc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of E346D of Tryptophan 7-Halogenase (Prna), PDB code: 2jkc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of E346D of Tryptophan 7-Halogenase (Prna)


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 E346D of Tryptophan 7-Halogenase (Prna) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1519 b:15.8 occ:1.00 O A:HOH2346 2.9 28.3 1.0 O A:HOH2344 3.1 16.3 1.0 O A:HOH2324 3.2 14.3 1.0 N A:GLY458 3.3 15.6 1.0 N A:VAL106 3.4 14.5 1.0 CA A:GLY458 3.6 15.0 1.0 CA A:ASN105 3.8 15.1 1.0 CB A:LEU456 3.9 15.4 1.0 CB A:ASN105 3.9 16.0 1.0 CG2 A:VAL106 4.0 14.1 1.0 C A:ASN105 4.2 14.9 1.0 CB A:VAL106 4.2 14.7 1.0 CD1 A:LEU456 4.3 16.4 1.0 O A:HOH2075 4.4 7.9 1.0 CA A:VAL106 4.4 14.3 1.0 C A:ASN457 4.5 15.3 1.0 OD1 A:ASN105 4.5 17.9 1.0 O A:VAL106 4.5 14.4 1.0 N A:ASN457 4.5 14.8 1.0 O A:HOH2073 4.6 24.5 1.0 C A:GLY458 4.7 14.7 1.0 CG A:ASN105 4.7 17.6 1.0 O A:GLY104 4.7 15.0 1.0 C A:LEU456 4.8 14.9 1.0 CG A:LEU456 4.8 15.0 1.0 O A:HOH2071 4.8 12.2 1.0 CA A:ASN457 4.9 15.0 1.0 N A:ASN459 4.9 14.5 1.0 CB A:ASN457 4.9 14.6 1.0 CA A:LEU456 5.0 15.2 1.0 C A:VAL106 5.0 14.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of E346D of Tryptophan 7-Halogenase (Prna)


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 E346D of Tryptophan 7-Halogenase (Prna) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1521 b:14.4 occ:1.00 O A:HOH2259 3.1 26.5 1.0 O A:HOH2254 3.1 15.7 1.0 N A:THR348 3.2 18.3 1.0 N A:GLY349 3.2 14.9 1.0 CA A:PRO344 3.3 16.2 1.0 CB A:PRO344 3.4 16.1 1.0 CA A:SER347 3.4 19.7 1.0 C10 A:FAD1518 3.5 12.7 1.0 N1 A:FAD1518 3.5 12.3 1.0 C4X A:FAD1518 3.5 12.2 1.0 C2 A:FAD1518 3.5 12.2 1.0 C4 A:FAD1518 3.6 12.6 1.0 N3 A:FAD1518 3.6 11.5 1.0 C A:SER347 3.6 19.1 1.0 N A:SER347 3.9 19.3 1.0 CA A:GLY349 4.0 14.3 1.0 N A:PRO344 4.1 15.6 1.0 C A:THR348 4.1 16.5 1.0 CA A:THR348 4.2 17.6 1.0 O2 A:FAD1518 4.2 12.2 1.0 N10 A:FAD1518 4.2 14.1 1.0 N5 A:FAD1518 4.2 12.7 1.0 C A:PRO344 4.3 17.3 1.0 O4 A:FAD1518 4.3 12.3 1.0 O A:LEU342 4.4 16.3 1.0 OD1 A:ASP346 4.4 19.9 1.0 O A:PRO344 4.5 18.5 1.0 CB A:SER347 4.6 19.6 1.0 C A:GLU343 4.6 15.6 1.0 CG A:PRO344 4.6 15.8 1.0 OG1 A:THR348 4.6 18.6 1.0 O A:GLU343 4.6 15.3 1.0 O A:SER347 4.7 18.3 1.0 O A:HOH2395 4.7 33.0 1.0 C9A A:FAD1518 4.8 12.2 1.0 CD A:PRO344 4.8 15.4 1.0 C5X A:FAD1518 4.9 12.1 1.0 C1' A:FAD1518 4.9 18.4 1.0

S.Flecks, E.P.Patallo, X.Zhu, A.J.Ernyei, G.Seifert, A.Schneider, C.Dong, J.H.Naismith, K.H.Van Pee. New Insights Into the Mechanism of Enzymatic Chlorination of Tryptophan. Angew. Chem. Int. Ed. Engl. V. 47 9533 2008.
ISSN: ESSN 1521-3773
PubMed: 18979475
DOI: 10.1002/ANIE.200802466