Chlorine in PDB 5vqb: Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad

The structure of Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad, PDB code: 5vqb was solved by G.Cox, J.Kelso, P.J.Stogios, A.Savchenko, W.F.Anderson, G.D.Wright, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.92 / 3.39
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	203.085, 129.285, 75.311, 90.00, 105.52, 90.00
R / Rfree (%)	22.6 / 28.4

The binding sites of Chlorine atom in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad (pdb code 5vqb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad, PDB code: 5vqb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


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 Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:35.4 occ:1.00 O A:GLU357 3.3 59.4 1.0 CB A:GLU360 3.7 70.9 1.0 CG A:GLU360 4.1 78.4 1.0 CZ A:PHE361 4.1 39.4 1.0 CE1 B:TYR367 4.2 31.1 1.0 CE2 A:PHE361 4.3 36.5 1.0 C A:GLU357 4.5 49.8 1.0 CZ B:TYR367 4.5 32.9 1.0 OH B:TYR367 4.5 36.2 1.0 CE1 A:PHE361 4.6 41.1 1.0 CD1 B:TYR367 4.8 30.8 1.0 CD2 A:PHE361 4.8 35.2 1.0 CA A:GLU357 4.9 48.7 1.0 CA A:GLU360 5.0 58.5 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


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 Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:65.5 occ:1.00 O A:HOH618 3.0 18.1 1.0 NH2 A:ARG352 3.1 49.8 1.0 NE A:ARG352 3.2 50.9 1.0 CZ A:ARG352 3.6 46.3 1.0 CD A:ARG352 4.3 48.8 1.0 CD2 A:LEU78 4.5 45.1 1.0 O A:GLY77 4.7 61.4 1.0 CG A:ARG352 4.8 45.8 1.0 NH1 A:ARG352 4.8 43.1 1.0 CA A:LEU78 5.0 74.3 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:66.3 occ:1.00 OE2 C:GLU64 3.2 63.2 1.0 NH1 A:ARG401 3.3 71.0 1.0 CZ A:ARG401 3.7 66.0 1.0 NH2 A:ARG401 3.7 58.5 1.0 CD C:GLU64 3.8 59.3 1.0 CB C:GLU60 4.0 49.6 1.0 OE1 C:GLU64 4.0 60.8 1.0 N C:ARG61 4.1 59.3 1.0 OE1 C:GLU60 4.1 52.8 1.0 CA C:ARG61 4.3 55.3 1.0 C C:GLU60 4.4 58.7 1.0 CB C:ARG61 4.4 62.7 1.0 NE A:ARG401 4.6 66.6 1.0 O C:GLU60 4.8 61.6 1.0 CA C:GLU60 4.8 51.4 1.0 CG C:GLU64 4.9 54.6 1.0 CD C:GLU60 5.0 49.8 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:57.2 occ:1.00 NH1 B:ARG61 2.9 59.0 1.0 NH2 B:ARG61 3.7 59.4 1.0 CZ B:ARG61 3.7 60.5 1.0 CB B:ALA111 4.0 40.5 1.0 ND1 B:HIS108 4.0 50.3 1.0 CA B:HIS108 4.2 49.4 1.0 O B:GLU107 4.5 74.9 1.0 CB B:HIS108 4.7 48.2 1.0 CG B:HIS108 4.8 48.3 1.0 N B:HIS108 4.9 55.3 1.0 C B:GLU107 4.9 65.0 1.0 NE B:ARG61 4.9 60.0 1.0 CE1 B:HIS108 5.0 52.8 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:56.7 occ:1.00 OE1 B:GLU330 3.7 75.5 1.0 N B:ARG378 4.4 47.9 1.0 CD B:GLU330 4.4 72.4 1.0 CA B:VAL377 4.5 45.2 1.0 O B:ARG378 4.6 63.8 1.0 CG1 B:VAL377 4.6 35.4 1.0 CG2 B:VAL327 4.6 30.1 1.0 OE2 B:GLU330 4.7 78.5 1.0 CA B:VAL327 5.0 29.6 1.0 O B:PRO326 5.0 49.5 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:49.9 occ:1.00 O B:GLU357 3.6 45.9 1.0 CB B:GLU360 3.9 50.2 1.0 CE1 A:TYR367 4.4 32.6 1.0 CZ B:PHE361 4.4 48.2 1.0 CG B:GLU360 4.5 59.9 1.0 CE1 B:PHE361 4.6 51.1 1.0 C B:GLU357 4.7 42.5 1.0 OH A:TYR367 4.7 43.1 1.0 CE2 B:PHE361 4.7 35.5 1.0 CZ A:TYR367 4.8 33.1 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:85.6 occ:1.00 NH1 B:ARG21 3.0 49.0 1.0 CZ B:ARG21 3.8 51.4 1.0 NH2 B:ARG21 3.9 56.4 1.0 CG B:ARG26 4.1 60.8 1.0 O B:GLY113 4.7 46.1 1.0 CA B:ARG26 4.8 53.2 1.0 CB B:ARG26 5.0 57.0 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Rifampin Monooxygenase From Streptomyces Venezuelae, Complex with Fad within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl502 b:67.1 occ:1.00 CD2 A:LEU112 3.6 42.9 1.0 O C:HOH607 3.6 5.9 1.0 CA C:HIS399 3.6 58.6 1.0 N C:GLY400 3.8 71.0 1.0 C C:HIS399 4.0 62.6 1.0 CB C:HIS399 4.1 59.6 1.0 O C:LYS398 4.3 79.0 1.0 CG C:HIS399 4.3 65.5 1.0 CD2 C:HIS399 4.5 70.3 1.0 CA C:GLY400 4.7 71.4 1.0 N C:HIS399 4.8 58.1 1.0 O C:HIS399 4.9 65.4 1.0

K.Koteva, G.Cox, J.K.Kelso, M.D.Surette, H.L.Zubyk, L.Ejim, P.Stogios, A.Savchenko, D.Sorensen, G.D.Wright. Rox, A Rifamycin Resistance Enzyme with An Unprecedented Mechanism of Action. Cell Chem Biol V. 25 403 2018.
ISSN: ESSN 2451-9448
PubMed: 29398560
DOI: 10.1016/J.CHEMBIOL.2018.01.009