Calcium in PDB 7bip: Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis

The structure of Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis, PDB code: 7bip was solved by L.Zhang, C.Zuo, A.Bechthold, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.53 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.912, 81.962, 160.624, 90, 90, 90
R / Rfree (%)	16.4 / 19.4

The binding sites of Calcium atom in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis (pdb code 7bip). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis, PDB code: 7bip:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:13.3 occ:0.91 O A:HOH548 2.4 21.0 1.0 O A:HOH668 2.4 21.3 1.0 OE1 A:GLU144 2.4 17.6 1.0 OE2 A:GLU144 2.5 15.7 1.0 CD A:GLU144 2.8 18.0 1.0 CG A:GLU144 4.3 16.1 1.0 O A:HOH555 4.3 27.2 1.0 O A:ALA142 4.5 20.3 1.0 O A:HOH621 4.5 22.8 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:18.8 occ:0.64 OE2 A:GLU23 2.3 40.5 1.0 O A:HOH508 2.4 38.9 1.0 OE1 A:GLU23 2.4 31.3 1.0 CD A:GLU23 2.7 37.2 1.0 CG A:GLU23 4.2 31.1 1.0 O2 A:EDO406 4.6 46.5 1.0 O1 A:EDO406 4.7 46.6 1.0 C2 A:EDO406 4.8 42.7 1.0 O B:HOH638 4.8 23.8 1.0 CB A:GLU23 5.0 17.6 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:14.5 occ:0.60 O5 B:PG4407 2.3 25.9 1.0 O B:HOH671 2.4 27.4 1.0 OE2 B:GLU23 2.4 21.1 0.7 O4 B:PG4407 2.5 28.9 1.0 O2 B:PG4407 2.5 41.8 1.0 O B:HOH707 2.5 29.9 1.0 O3 B:PG4407 2.5 36.0 1.0 OE1 B:GLU23 2.6 24.9 0.7 CD B:GLU23 2.9 19.2 0.7 C4 B:PG4407 3.2 44.0 1.0 C8 B:PG4407 3.2 28.0 1.0 C3 B:PG4407 3.3 43.9 1.0 C7 B:PG4407 3.3 26.6 1.0 C2 B:PG4407 3.4 35.3 1.0 C6 B:PG4407 3.4 31.4 1.0 C5 B:PG4407 3.4 34.5 1.0 O B:HOH618 4.1 23.9 1.0 OE1 B:GLU23 4.1 20.3 0.3 CD B:GLU23 4.3 19.0 0.3 CG B:GLU23 4.4 16.9 0.7 C1 B:PG4407 4.6 36.3 1.0 O B:HOH525 4.7 46.9 1.0 CG B:GLU23 4.7 14.9 0.3 O1 B:PG4407 4.8 41.1 1.0 OE2 B:GLU23 4.8 28.1 0.3

Calcium binding site 4 out of 6 in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:23.1 occ:0.43 O B:HOH649 2.4 30.5 1.0 O B:HOH742 2.4 30.5 1.0 O B:HOH515 2.4 45.9 1.0 O2 B:PEG408 2.4 56.5 1.0 O B:HOH774 2.5 41.4 1.0 O1 B:PEG408 2.5 53.2 1.0 C2 B:PEG408 2.9 53.5 1.0 C1 B:PEG408 3.0 54.8 1.0 O4 B:PEG408 3.5 47.8 1.0 C3 B:PEG408 3.7 53.9 1.0 C4 B:PEG408 4.1 49.4 1.0 O B:HOH588 4.4 20.5 1.0 O B:HOH690 4.5 17.8 1.0 O B:GLY190 4.8 17.6 1.0 O B:HOH576 4.9 28.5 1.0 O B:HOH522 4.9 26.8 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:13.2 occ:0.37 OG B:SER231 2.8 11.1 0.4 O B:HOH624 3.0 27.2 1.0 O B:HOH765 3.1 27.5 1.0 CA B:CA405 3.2 24.4 0.6 OD1 B:ASN6 3.2 17.6 1.0 O1 B:XPE406 3.3 25.8 1.0 CB B:SER231 3.7 11.9 0.4 CB B:SER231 3.7 11.4 0.6 CD B:LYS41 3.8 13.3 1.0 C2 B:XPE406 3.9 24.1 1.0 O B:GLY76 4.1 16.1 1.0 O B:HOH553 4.1 20.4 1.0 OG B:SER231 4.1 10.5 0.6 CG B:ASN6 4.2 14.6 1.0 ND2 B:ASN6 4.6 11.5 1.0 NZ B:LYS41 4.6 12.8 1.0 C15 B:XPE406 4.6 39.9 1.0 O B:HOH650 4.6 28.0 1.0 C14 B:XPE406 4.6 31.6 1.0 O B:HOH546 4.7 26.4 1.0 CE B:LYS41 4.8 12.9 1.0 C B:GLY76 4.8 16.6 1.0 C3 B:XPE406 4.8 27.0 1.0 O B:HOH775 4.8 28.9 1.0 CG B:LYS41 4.8 10.6 1.0 O16 B:XPE406 4.8 44.6 1.0 CA B:GLY76 4.8 11.3 1.0 O B:HOH575 4.8 15.7 1.0 CA B:SER231 5.0 13.9 0.6 CA B:SER231 5.0 13.1 0.4

Calcium binding site 6 out of 6 in the Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Monooxygenase RSLO1 From Streptomyces Bottropensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca405 b:24.4 occ:0.60 O B:HOH650 2.6 28.0 1.0 NZ B:LYS41 2.9 12.8 1.0 CA B:CA404 3.2 13.2 0.4 OG B:SER231 3.2 11.1 0.4 O B:HOH765 3.7 27.5 1.0 CE B:MET194 3.8 21.5 1.0 O1 B:XPE406 3.9 25.8 1.0 N B:SER231 3.9 11.4 0.6 N B:SER231 3.9 11.9 0.4 CE B:LYS41 3.9 12.9 1.0 C B:MET230 3.9 11.4 1.0 CB B:HIS229 4.0 13.5 1.0 CA B:MET230 4.1 8.8 1.0 CD B:LYS41 4.1 13.3 1.0 N B:MET230 4.1 10.6 1.0 CB B:SER231 4.1 11.9 0.4 CB B:SER231 4.2 11.4 0.6 O B:HOH575 4.2 15.7 1.0 C B:HIS229 4.2 11.3 1.0 O B:HIS229 4.3 11.9 1.0 O B:MET230 4.5 12.4 1.0 CA B:SER231 4.5 13.9 0.6 CA B:SER231 4.5 13.1 0.4 CB B:MET194 4.6 13.3 1.0 OG B:SER322 4.6 14.8 1.0 C2 B:XPE406 4.7 24.1 1.0 C3 B:XPE406 4.7 27.0 1.0 CA B:HIS229 4.8 9.5 1.0 ND1 B:HIS229 4.9 15.8 1.0 O B:LEU195 4.9 13.3 1.0 CG B:HIS229 4.9 14.2 1.0 SD B:MET194 5.0 19.0 0.9 CG B:MET194 5.0 19.0 1.0

A.Alali, L.Zhang, J.Li, C.Zuo, D.Wassouf, X.Yan, P.Schwarzer, S.Guenther, O.Einsle, A.Bechthold. Unique Third Ring Oxygenation After Three Cyclization Steps in the Biosynthesis of the Tricyclic Aromatic Pks-II Rishirilides To Be Published.