Chlorine in PDB 5lmz: Fluorinase From Streptomyces Sp. MA37

The structure of Fluorinase From Streptomyces Sp. MA37, PDB code: 5lmz was solved by G.Mann, D.O'hagan, J.H.Naismith, N.Bandaranayaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.17 / 2.55
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	125.920, 125.920, 125.920, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 21.6

The binding sites of Chlorine atom in the Fluorinase From Streptomyces Sp. MA37 (pdb code 5lmz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Fluorinase From Streptomyces Sp. MA37, PDB code: 5lmz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Fluorinase From Streptomyces Sp. MA37


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fluorinase From Streptomyces Sp. MA37 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:32.5 occ:1.00 H A:ALA79 2.3 30.6 1.0 HB3 A:ALA79 2.6 41.1 1.0 HD21 A:ASN124 2.6 28.6 1.0 HD2 A:PRO78 2.9 28.5 1.0 HB3 A:ASN124 3.0 29.5 1.0 HD1 A:TYR77 3.0 34.9 1.0 HA A:TYR77 3.1 32.2 1.0 HG2 A:PRO78 3.1 27.9 1.0 N A:ALA79 3.1 25.5 1.0 CB A:ALA79 3.3 34.3 1.0 ND2 A:ASN124 3.3 23.9 1.0 O A:HOH513 3.4 38.4 1.0 HB2 A:ALA79 3.4 41.1 1.0 CD1 A:TYR77 3.6 29.1 1.0 CD A:PRO78 3.6 23.7 1.0 CB A:ASN124 3.7 24.6 1.0 HB2 A:PRO122 3.7 23.7 1.0 CA A:ALA79 3.7 31.8 1.0 HB2 A:ASN124 3.7 29.5 1.0 N A:PRO78 3.8 24.9 1.0 CG A:PRO78 3.8 23.2 1.0 HE1 A:TYR77 3.8 36.6 1.0 HD22 A:ASN124 3.9 28.6 1.0 CA A:TYR77 3.9 26.8 1.0 C A:TYR77 3.9 26.3 1.0 CG A:ASN124 4.0 24.5 1.0 CE1 A:TYR77 4.0 30.5 1.0 HB3 A:PRO122 4.0 23.7 1.0 HG22 A:THR84 4.1 52.4 1.0 HB1 A:ALA79 4.1 41.1 1.0 C A:PRO78 4.2 25.6 1.0 O A:THR76 4.3 20.7 1.0 CB A:PRO122 4.3 19.7 1.0 C A:ALA79 4.3 33.7 1.0 CG A:TYR77 4.5 26.3 1.0 CA A:PRO78 4.5 25.6 1.0 H A:THR80 4.5 28.3 1.0 HD3 A:PRO78 4.5 28.5 1.0 HG3 A:PRO78 4.5 27.9 1.0 HA A:ALA79 4.6 38.1 1.0 O A:TYR77 4.6 26.6 1.0 HG1 A:THR84 4.6 55.6 1.0 N A:THR80 4.7 23.6 1.0 CB A:PRO78 4.7 24.2 1.0 CB A:TYR77 4.8 26.8 1.0 N A:TYR77 4.9 25.7 1.0 HB2 A:PRO78 4.9 29.0 1.0 HG3 A:PRO122 4.9 26.7 1.0 O A:ALA79 5.0 31.8 1.0 O A:HOH506 5.0 41.1 1.0

Chlorine binding site 2 out of 3 in the Fluorinase From Streptomyces Sp. MA37


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fluorinase From Streptomyces Sp. MA37 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:32.0 occ:1.00 HD21 B:ASN124 2.4 38.8 1.0 H B:ALA79 2.5 27.6 1.0 HD2 B:PRO78 2.6 30.3 1.0 HB3 B:ALA79 2.7 31.1 1.0 HA B:TYR77 3.0 31.3 1.0 HB3 B:ASN124 3.1 34.2 1.0 HG2 B:PRO78 3.1 29.9 1.0 ND2 B:ASN124 3.2 32.3 1.0 HD1 B:TYR77 3.3 36.1 1.0 N B:ALA79 3.3 23.0 1.0 CD B:PRO78 3.3 25.2 1.0 CB B:ALA79 3.4 25.9 1.0 HB2 B:ALA79 3.4 31.1 1.0 HG21 B:THR84 3.5 44.0 1.0 N B:PRO78 3.6 26.4 1.0 HD22 B:ASN124 3.7 38.8 1.0 CG B:PRO78 3.7 24.9 1.0 CB B:ASN124 3.7 28.5 1.0 CD1 B:TYR77 3.7 30.1 1.0 HB2 B:PRO122 3.7 36.1 1.0 HB2 B:ASN124 3.7 34.2 1.0 CA B:TYR77 3.8 26.1 1.0 C B:TYR77 3.8 26.3 1.0 CG B:ASN124 3.9 28.2 1.0 CA B:ALA79 3.9 27.4 1.0 O B:THR76 4.0 22.3 1.0 HE1 B:TYR77 4.1 26.8 1.0 HD3 B:PRO78 4.2 30.3 1.0 CE1 B:TYR77 4.2 22.3 1.0 HB3 B:PRO122 4.2 36.1 1.0 HB1 B:ALA79 4.3 31.1 1.0 C B:PRO78 4.3 25.9 1.0 HG3 B:PRO78 4.3 29.9 1.0 CB B:PRO122 4.4 30.1 1.0 CA B:PRO78 4.4 26.9 1.0 CG B:TYR77 4.4 29.7 1.0 CG2 B:THR84 4.5 36.6 1.0 O B:TYR77 4.6 30.2 1.0 C B:ALA79 4.6 28.7 1.0 H B:THR80 4.6 34.8 1.0 CB B:PRO78 4.7 27.2 1.0 HG1 B:THR84 4.7 55.1 1.0 HG22 B:THR84 4.7 44.0 1.0 CB B:TYR77 4.7 29.2 1.0 HA B:ALA79 4.7 32.8 1.0 N B:TYR77 4.8 20.7 1.0 HG3 B:PRO122 4.8 32.5 1.0 C B:THR76 4.8 23.5 1.0 N B:THR80 4.9 29.0 1.0 HB2 B:PRO78 4.9 32.7 1.0 HG23 B:THR84 5.0 44.0 1.0

Chlorine binding site 3 out of 3 in the Fluorinase From Streptomyces Sp. MA37


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Fluorinase From Streptomyces Sp. MA37 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:44.8 occ:1.00 HG22 B:VAL41 2.9 29.4 1.0 HG13 B:VAL41 3.3 34.0 1.0 HA B:VAL41 3.5 34.0 1.0 CG2 B:VAL41 3.8 24.5 1.0 CG1 B:VAL41 4.2 28.3 1.0 HG21 B:VAL41 4.2 29.4 1.0 CB B:VAL41 4.3 27.8 1.0 CA B:VAL41 4.3 28.3 1.0 HG23 B:VAL41 4.4 29.4 1.0 HG21 B:THR39 4.4 39.5 1.0 HG22 B:THR39 4.4 39.5 1.0 HG23 B:THR39 4.4 39.5 1.0 O B:VAL40 4.5 32.1 1.0 HG11 B:VAL41 4.6 34.0 1.0 CG2 B:THR39 4.6 32.9 1.0 O B:HOH507 4.7 42.6 0.3 H B:ASP42 4.8 30.6 1.0 HG12 B:VAL41 4.9 34.0 1.0

H.Deng, L.Ma, N.Bandaranayaka, Z.Qin, G.Mann, K.Kyeremeh, Y.Yu, T.Shepherd, J.H.Naismith, D.O'hagan. Identification of Fluorinases From Streptomyces Sp MA37, Norcardia Brasiliensis, and Actinoplanes Sp N902-109 By Genome Mining. Chembiochem V. 15 364 2014.
ISSN: ESSN 1439-7633
PubMed: 24449539
DOI: 10.1002/CBIC.201300732