Iron in PDB 8s02: Bzdno-Benzoyl-Coa Complex

The structure of Bzdno-Benzoyl-Coa Complex, PDB code: 8s02 was solved by U.Ermler, M.Boll, J.Fuchs, U.Demmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.03 / 1.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	208.85, 102.79, 86.82, 90, 102.48, 90
R / Rfree (%)	19.9 / 21.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iron atom in the Bzdno-Benzoyl-Coa Complex (pdb code 8s02). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 24 binding sites of Iron where determined in the Bzdno-Benzoyl-Coa Complex, PDB code: 8s02:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:14.7 occ:1.00 FE1 A:SF4503 0.0 14.7 1.0 S2 A:SF4503 2.3 14.9 1.0 SG A:CYS128 2.3 15.1 1.0 S3 A:SF4503 2.3 15.1 1.0 S4 A:SF4503 2.3 15.5 1.0 FE2 A:SF4503 2.7 15.7 1.0 FE3 A:SF4503 2.8 16.2 1.0 FE4 A:SF4503 2.8 15.4 1.0 CB A:CYS128 3.2 15.3 1.0 S1 A:SF4503 3.9 15.7 1.0 N A:GLY382 4.0 14.6 1.0 CA A:GLY382 4.2 18.1 1.0 CB A:SER130 4.2 16.5 1.0 O A:DOD624 4.2 17.4 1.0 NE2 A:HIS131 4.5 12.8 1.0 CG A:GLU381 4.5 18.3 1.0 CD2 A:HIS131 4.6 15.4 1.0 CA A:CYS128 4.7 14.1 1.0 OG A:SER130 4.7 16.7 1.0 SG A:CYS380 4.8 16.9 1.0 SG A:CYS95 4.9 14.9 1.0 N A:SER130 4.9 14.0 1.0

Iron binding site 2 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:15.7 occ:1.00 FE2 A:SF4503 0.0 15.7 1.0 O A:DOD624 1.9 17.4 1.0 S1 A:SF4503 2.3 15.7 1.0 S3 A:SF4503 2.3 15.1 1.0 S4 A:SF4503 2.3 15.5 1.0 FE1 A:SF4503 2.7 14.7 1.0 FE4 A:SF4503 2.7 15.4 1.0 FE3 A:SF4503 2.7 16.2 1.0 NE2 A:HIS131 3.6 12.8 1.0 C4B A:BYC501 3.8 17.3 1.0 S2 A:SF4503 3.9 14.9 1.0 CD2 A:HIS131 4.1 15.4 1.0 C5B A:BYC501 4.2 16.4 1.0 OE2 A:GLU65 4.2 15.3 1.0 CG A:GLU65 4.3 16.4 1.0 C3B A:BYC501 4.6 18.8 1.0 CE1 A:HIS131 4.6 13.1 1.0 SG A:CYS128 4.7 15.1 1.0 CZ3 A:TRP134 4.7 14.3 1.0 CD A:GLU65 4.7 13.9 1.0 CB A:CYS128 4.8 15.3 1.0 SG A:CYS380 4.8 16.9 1.0 SG A:CYS95 4.8 14.9 1.0

Iron binding site 3 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:16.2 occ:1.00 FE3 A:SF4503 0.0 16.2 1.0 S4 A:SF4503 2.3 15.5 1.0 S1 A:SF4503 2.3 15.7 1.0 SG A:CYS380 2.3 16.9 1.0 S2 A:SF4503 2.3 14.9 1.0 FE4 A:SF4503 2.6 15.4 1.0 FE2 A:SF4503 2.7 15.7 1.0 FE1 A:SF4503 2.8 14.7 1.0 CB A:CYS380 3.4 18.9 1.0 CA A:CYS380 3.8 16.2 1.0 S3 A:SF4503 3.9 15.1 1.0 N A:GLY382 3.9 14.6 1.0 NE2 A:GLN274 4.2 26.5 1.0 C A:CYS380 4.2 19.0 1.0 CA A:GLY382 4.3 18.1 1.0 N A:LEU383 4.4 16.9 1.0 SG A:CYS95 4.4 14.9 1.0 O A:DOD624 4.4 17.4 1.0 N A:GLU381 4.5 15.1 1.0 C4B A:BYC501 4.6 17.3 1.0 SG A:CYS128 4.7 15.1 1.0 CG A:LEU383 4.8 14.9 1.0 C A:GLY382 4.8 16.7 1.0 O A:CYS380 4.9 17.5 1.0

Iron binding site 4 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:15.4 occ:1.00 FE4 A:SF4503 0.0 15.4 1.0 S3 A:SF4503 2.3 15.1 1.0 S1 A:SF4503 2.3 15.7 1.0 SG A:CYS95 2.3 14.9 1.0 S2 A:SF4503 2.3 14.9 1.0 FE3 A:SF4503 2.6 16.2 1.0 FE2 A:SF4503 2.7 15.7 1.0 FE1 A:SF4503 2.8 14.7 1.0 CB A:CYS95 3.2 15.3 1.0 S4 A:SF4503 3.9 15.5 1.0 CZ3 A:TRP134 4.3 14.3 1.0 O A:DOD624 4.5 17.4 1.0 CA A:CYS95 4.5 15.0 1.0 SG A:CYS380 4.7 16.9 1.0 CE3 A:TRP134 4.7 14.0 1.0 CB A:SER130 4.8 16.5 1.0 SG A:CYS128 4.9 15.1 1.0 CA A:CYS380 4.9 16.2 1.0 O A:GLY379 5.0 17.1 1.0 CB A:TYR97 5.0 15.7 1.0

Iron binding site 5 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:16.7 occ:1.00 FE1 B:BJ8401 0.0 16.7 1.0 S9 B:BJ8401 2.2 19.6 1.0 S2 B:BJ8401 2.3 16.8 1.0 S4 B:BJ8401 2.3 17.1 1.0 S3 B:BJ8401 2.3 16.4 1.0 FE4 B:BJ8401 2.7 17.2 1.0 FE2 B:BJ8401 2.8 16.7 1.0 FE3 B:BJ8401 2.8 16.8 1.0 FE8 B:BJ8401 3.5 18.2 1.0 CB B:SER239 3.9 18.1 1.0 S1 B:BJ8401 4.0 16.7 1.0 OG B:SER239 4.1 19.0 1.0 CD2 B:PHE75 4.2 24.8 1.0 S7 B:BJ8401 4.3 16.7 1.0 CD2 B:TYR103 4.7 30.1 1.0 S5 B:BJ8401 4.7 17.0 1.0 CE2 B:PHE75 4.8 26.4 1.0 SG B:CYS100 4.8 16.6 1.0 SG B:CYS327 4.8 16.9 1.0 SG B:CYS73 4.8 18.9 1.0 CB B:CYS100 4.9 16.3 1.0

Iron binding site 6 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:16.7 occ:1.00 FE2 B:BJ8401 0.0 16.7 1.0 S1 B:BJ8401 2.3 16.7 1.0 SG B:CYS327 2.3 16.9 1.0 S3 B:BJ8401 2.3 16.4 1.0 S4 B:BJ8401 2.3 17.1 1.0 FE4 B:BJ8401 2.7 17.2 1.0 FE3 B:BJ8401 2.7 16.8 1.0 FE1 B:BJ8401 2.8 16.7 1.0 CB B:CYS327 3.3 16.9 1.0 CA B:CYS327 3.8 16.8 1.0 S2 B:BJ8401 3.9 16.8 1.0 CB B:SER239 4.2 18.1 1.0 OG B:SER239 4.2 19.0 1.0 CD B:PRO329 4.2 16.2 1.0 CD2 B:HIS330 4.4 17.0 1.0 O B:HOH587 4.5 23.9 1.0 C B:CYS327 4.5 16.9 1.0 SG B:CYS73 4.6 18.9 1.0 SG B:CYS100 4.6 16.6 1.0 S9 B:BJ8401 4.8 19.6 1.0 CB B:CYS73 4.8 18.7 1.0 CG B:PRO329 4.9 17.0 1.0 N B:ASP328 4.9 15.6 1.0 N B:CYS327 5.0 17.6 1.0

Iron binding site 7 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:16.8 occ:1.00 FE3 B:BJ8401 0.0 16.8 1.0 SG B:CYS73 2.2 18.9 1.0 S2 B:BJ8401 2.3 16.8 1.0 S1 B:BJ8401 2.3 16.7 1.0 S4 B:BJ8401 2.3 17.1 1.0 FE4 B:BJ8401 2.7 17.2 1.0 FE2 B:BJ8401 2.7 16.7 1.0 FE1 B:BJ8401 2.8 16.7 1.0 CB B:CYS73 3.2 18.7 1.0 S3 B:BJ8401 3.9 16.4 1.0 OE1 B:GLN102 4.4 18.4 1.0 CB B:PHE75 4.6 22.1 1.0 CA B:CYS73 4.6 17.4 1.0 CB B:GLN102 4.6 17.2 1.0 SG B:CYS100 4.7 16.6 1.0 N B:CYS76 4.7 18.7 1.0 SG B:CYS327 4.7 16.9 1.0 S9 B:BJ8401 4.7 19.6 1.0 CD2 B:PHE75 4.8 24.8 1.0 CD B:GLN102 4.8 16.9 1.0 CB B:CYS76 4.9 17.0 1.0

Iron binding site 8 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:17.2 occ:1.00 FE4 B:BJ8401 0.0 17.2 1.0 SG B:CYS100 2.2 16.6 1.0 S1 B:BJ8401 2.3 16.7 1.0 S3 B:BJ8401 2.3 16.4 1.0 S2 B:BJ8401 2.3 16.8 1.0 FE2 B:BJ8401 2.7 16.7 1.0 FE3 B:BJ8401 2.7 16.8 1.0 FE1 B:BJ8401 2.7 16.7 1.0 CB B:CYS100 3.1 16.3 1.0 S4 B:BJ8401 3.8 17.1 1.0 CB B:GLN102 4.2 17.2 1.0 CD B:PRO329 4.3 16.2 1.0 CG B:PRO329 4.4 17.0 1.0 CG B:GLN102 4.6 18.1 1.0 CA B:CYS100 4.6 16.0 1.0 SG B:CYS73 4.6 18.9 1.0 SG B:CYS327 4.7 16.9 1.0 N B:TYR103 4.7 17.3 1.0 S9 B:BJ8401 4.8 19.6 1.0 S7 B:BJ8401 4.8 16.7 1.0 O A:HOH636 4.8 17.3 1.0 CD B:GLN102 4.9 16.9 1.0

Iron binding site 9 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:17.3 occ:1.00 FE5 B:BJ8401 0.0 17.3 1.0 S6 B:BJ8401 2.3 17.1 1.0 S7 B:BJ8401 2.3 16.7 1.0 S8 B:BJ8401 2.3 15.9 1.0 SG B:CYS36 2.3 18.4 1.0 FE7 B:BJ8401 2.8 17.1 1.0 FE8 B:BJ8401 2.8 18.2 1.0 FE6 B:BJ8401 2.8 16.8 1.0 CB B:CYS36 3.4 21.1 1.0 OG B:SER99 3.6 15.8 0.4 CA B:CYS36 3.9 21.5 1.0 S5 B:BJ8401 4.0 17.0 1.0 N B:THR37 4.0 17.1 1.0 OG1 B:THR37 4.1 16.4 1.0 CB B:SER99 4.1 17.6 0.4 CB B:SER99 4.3 18.8 0.6 CE2 B:TYR103 4.4 30.2 1.0 C B:CYS36 4.4 23.9 1.0 CD2 B:TYR103 4.5 30.1 1.0 OG B:SER99 4.6 18.2 0.6 SG B:CYS263 4.7 16.5 1.0 CD2 B:TYR38 4.7 16.6 1.0 S9 B:BJ8401 4.7 19.6 1.0 SG B:CYS293 4.8 16.9 1.0

Iron binding site 10 out of 24 in the Bzdno-Benzoyl-Coa Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Bzdno-Benzoyl-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:16.8 occ:1.00 FE6 B:BJ8401 0.0 16.8 1.0 S5 B:BJ8401 2.3 17.0 1.0 S8 B:BJ8401 2.3 15.9 1.0 S7 B:BJ8401 2.3 16.7 1.0 SG B:CYS293 2.3 16.9 1.0 FE7 B:BJ8401 2.7 17.1 1.0 FE8 B:BJ8401 2.8 18.2 1.0 FE5 B:BJ8401 2.8 17.3 1.0 CB B:CYS293 3.3 17.1 1.0 S6 B:BJ8401 4.0 17.1 1.0 OG B:SER99 4.0 18.2 0.6 CA B:CYS293 4.2 17.3 1.0 CB B:SER99 4.5 18.8 0.6 S3 B:BJ8401 4.5 16.4 1.0 CB B:SER99 4.6 17.6 0.4 OG B:SER99 4.8 15.8 0.4 SG B:CYS36 4.8 18.4 1.0 SG B:CYS263 4.8 16.5 1.0 CD B:PRO294 4.8 15.1 1.0 NE2 B:HIS330 4.9 19.1 1.0 S9 B:BJ8401 4.9 19.6 1.0

U.Ermler, M.Boll, J.Fuchs, U.Demmer. X-Ray Structure of the Bzdno-Benzoyl-Coa Complex To Be Published.