Chlorine in PDB 8vwr: Structure of Steroid Hydratase From Comamonas Testosteroni

The structure of Structure of Steroid Hydratase From Comamonas Testosteroni, PDB code: 8vwr was solved by K.L.Schroeter, T.J.B.Forrester, M.S.Kimber, S.Y.K.Seah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.64 / 2.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.28, 95.28, 98.59, 90, 90, 120
R / Rfree (%)	19.7 / 22.4

The binding sites of Chlorine atom in the Structure of Steroid Hydratase From Comamonas Testosteroni (pdb code 8vwr). 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 Steroid Hydratase From Comamonas Testosteroni, PDB code: 8vwr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Steroid Hydratase From Comamonas Testosteroni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Steroid Hydratase From Comamonas Testosteroni within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:109.7 occ:1.00 HD22 A:LEU173 3.4 120.7 1.0 HH12 A:ARG160 3.5 160.1 1.0 HD23 A:LEU173 3.5 120.7 1.0 HA A:LEU173 3.6 107.0 1.0 CD2 A:LEU173 3.9 100.5 1.0 O A:LEU173 4.2 87.5 1.0 HH22 A:ARG160 4.2 162.2 1.0 NH1 A:ARG160 4.2 133.4 1.0 HB2 A:SER175 4.2 121.5 1.0 HB3 A:SER175 4.3 121.5 1.0 HE1 A:TYR241 4.3 107.2 1.0 HD1 A:TYR241 4.3 127.9 1.0 O A:HOH529 4.3 74.3 1.0 CA A:LEU173 4.4 89.0 1.0 HD21 A:LEU173 4.5 120.7 1.0 O A:HOH540 4.5 76.1 1.0 CE1 A:TYR241 4.5 89.2 1.0 CD1 A:TYR241 4.5 106.5 1.0 OD1 A:ASP240 4.6 116.9 1.0 HH11 A:ARG160 4.6 160.1 1.0 HB3 A:LEU173 4.6 105.3 1.0 HG A:SER175 4.7 128.8 1.0 O A:HOH507 4.7 77.6 1.0 CB A:SER175 4.7 101.2 1.0 C A:LEU173 4.7 86.8 1.0 NH2 A:ARG160 4.8 135.1 1.0 CZ A:ARG160 4.9 134.8 1.0 CB A:LEU173 4.9 87.7 1.0

Chlorine binding site 2 out of 2 in the Structure of Steroid Hydratase From Comamonas Testosteroni


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Steroid Hydratase From Comamonas Testosteroni within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:80.7 occ:1.00 HH21 B:ARG258 2.6 68.8 1.0 HE2 A:TYR252 2.8 75.3 1.0 HE22 A:GLN286 2.9 89.5 1.0 HE B:ARG258 2.9 64.0 1.0 NH2 B:ARG258 3.4 57.3 1.0 CE2 A:TYR252 3.7 62.7 1.0 NE2 A:GLN286 3.7 74.5 1.0 NE B:ARG258 3.7 53.3 1.0 OH A:TYR252 4.0 76.7 1.0 HH22 B:ARG258 4.0 68.8 1.0 CZ B:ARG258 4.0 51.3 1.0 HE21 A:GLN286 4.1 89.5 1.0 CZ A:TYR252 4.3 62.0 1.0 OE1 A:GLN286 4.6 69.8 1.0 CD A:GLN286 4.6 77.6 1.0 HD2 A:TYR252 4.7 73.2 1.0 CD2 A:TYR252 4.7 60.9 1.0 HH A:TYR252 4.7 92.1 1.0 HD2 B:ARG258 4.9 64.5 1.0 CD B:ARG258 4.9 53.7 1.0

K.L.Schroeter, N.Rolfe, T.J.Forrester, M.S.Kimber, S.Y.Seah. Shy Is A Proteobacterial Steroid Hydratase Which Catalyzes Steroid Side Chain Degradation Without Requiring A Catalytically Inert Partner Domain. J.Biol.Chem. 07509 2024.
ISSN: ESSN 1083-351X
PubMed: 38944126
DOI: 10.1016/J.JBC.2024.107509