Iron in PDB 8s1t: Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex

The structure of Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex, PDB code: 8s1t 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)	43.60 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	208.21, 102.75, 86.82, 90, 102.4, 90
R / Rfree (%)	18.2 / 20

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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex (pdb code 8s1t). 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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex, PDB code: 8s1t:
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-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:15.7 occ:1.00 FE1 A:SF4504 0.0 15.7 1.0 S2 A:SF4504 2.2 16.0 1.0 S4 A:SF4504 2.3 16.3 1.0 S3 A:SF4504 2.3 15.8 1.0 SG A:CYS128 2.3 15.8 1.0 FE2 A:SF4504 2.6 16.3 1.0 FE3 A:SF4504 2.7 16.9 1.0 FE4 A:SF4504 2.7 16.1 1.0 HB2 A:SER130 3.2 20.6 1.0 HB3 A:CYS128 3.2 18.3 1.0 CB A:CYS128 3.2 15.2 1.0 HB2 A:CYS128 3.3 18.3 1.0 H A:GLY382 3.3 19.1 1.0 HA3 A:GLY382 3.4 21.1 1.0 HG3 A:GLU381 3.9 21.9 1.0 S1 A:SF4504 3.9 16.2 1.0 N A:GLY382 4.0 15.9 1.0 O A:HOH609 4.1 19.5 1.0 CB A:SER130 4.1 17.2 1.0 CA A:GLY382 4.2 17.6 1.0 H A:SER130 4.3 19.9 1.0 HG2 A:GLU381 4.3 21.9 1.0 HE2 A:HIS131 4.3 16.8 1.0 H1 A:HOH609 4.4 23.4 1.0 HB2 A:CYS95 4.4 17.0 1.0 NE2 A:HIS131 4.4 14.0 1.0 HB3 A:SER130 4.5 20.6 1.0 CG A:GLU381 4.6 18.2 1.0 HA2 A:GLY382 4.6 21.1 1.0 CD2 A:HIS131 4.6 14.0 1.0 HD2 A:HIS131 4.7 16.8 1.0 CA A:CYS128 4.7 17.5 1.0 OG A:SER130 4.7 17.9 1.0 SG A:CYS380 4.8 16.5 1.0 HO2 A:HOH609 4.8 23.4 1.0 H A:GLU381 4.8 19.0 1.0 HG A:SER130 4.8 21.5 1.0 HA A:CYS380 4.9 19.4 1.0 SG A:CYS95 4.9 14.4 1.0 H A:HIS131 4.9 18.8 1.0 N A:SER130 4.9 16.6 1.0 CE1 A:HIS131 5.0 17.1 1.0 CA A:SER130 5.0 16.2 1.0 HA A:CYS128 5.0 21.1 1.0

Iron binding site 2 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:16.3 occ:1.00 FE2 A:SF4504 0.0 16.3 1.0 O A:HOH609 1.9 19.5 1.0 H1 A:HOH609 2.3 23.4 1.0 S4 A:SF4504 2.3 16.3 1.0 S3 A:SF4504 2.3 15.8 1.0 S1 A:SF4504 2.3 16.2 1.0 HO2 A:HOH609 2.4 23.4 1.0 FE1 A:SF4504 2.6 15.7 1.0 FE4 A:SF4504 2.7 16.1 1.0 FE3 A:SF4504 2.7 16.9 1.0 H4B A:4KX501 2.9 22.6 1.0 HE2 A:HIS131 3.1 16.8 1.0 H39 A:4KX501 3.6 22.0 1.0 NE2 A:HIS131 3.6 14.0 1.0 HG2 A:GLU65 3.6 18.6 1.0 C4B A:4KX501 3.8 18.8 1.0 S2 A:SF4504 3.8 16.0 1.0 HZ3 A:TRP134 3.9 20.8 1.0 HD2 A:HIS131 4.0 16.8 1.0 CD2 A:HIS131 4.1 14.0 1.0 OE2 A:GLU65 4.1 16.3 1.0 H232 A:4KX501 4.1 22.6 1.0 C5B A:4KX501 4.2 18.3 1.0 HG3 A:GLU65 4.2 18.6 1.0 CG A:GLU65 4.3 15.4 1.0 HB3 A:CYS128 4.4 18.3 1.0 HB2 A:CYS128 4.5 18.3 1.0 CE1 A:HIS131 4.6 17.1 1.0 HD2 A:TYR97 4.7 20.8 1.0 SG A:CYS128 4.7 15.8 1.0 CZ3 A:TRP134 4.7 17.3 1.0 CD A:GLU65 4.7 15.7 1.0 C3B A:4KX501 4.8 19.5 1.0 CB A:CYS128 4.8 15.2 1.0 HE3 A:TRP134 4.8 19.6 1.0 SG A:CYS380 4.8 16.5 1.0 SG A:CYS95 4.8 14.4 1.0 HE1 A:HIS131 4.9 20.6 1.0 HA3 A:GLY382 4.9 21.1 1.0 H5B A:4KX501 4.9 22.0 1.0

Iron binding site 3 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:16.9 occ:1.00 FE3 A:SF4504 0.0 16.9 1.0 S4 A:SF4504 2.3 16.3 1.0 SG A:CYS380 2.3 16.5 1.0 S2 A:SF4504 2.3 16.0 1.0 S1 A:SF4504 2.3 16.2 1.0 FE4 A:SF4504 2.6 16.1 1.0 FE2 A:SF4504 2.7 16.3 1.0 FE1 A:SF4504 2.7 15.7 1.0 H A:GLY382 3.2 19.1 1.0 HA A:CYS380 3.3 19.4 1.0 CB A:CYS380 3.4 17.0 1.0 HB2 A:CYS380 3.6 20.4 1.0 HE21 A:GLN274 3.7 30.7 1.0 H A:LEU383 3.7 19.1 1.0 H4B A:4KX501 3.7 22.6 1.0 HA3 A:GLY382 3.8 21.1 1.0 CA A:CYS380 3.8 16.1 1.0 S3 A:SF4504 3.9 15.8 1.0 HG A:LEU383 3.9 19.7 1.0 N A:GLY382 3.9 15.9 1.0 HE22 A:GLN274 4.1 30.7 1.0 C A:CYS380 4.2 19.0 1.0 NE2 A:GLN274 4.2 25.6 1.0 HB3 A:CYS380 4.3 20.4 1.0 CA A:GLY382 4.3 17.6 1.0 N A:LEU383 4.4 15.9 1.0 H232 A:4KX501 4.4 22.6 1.0 H A:GLU381 4.4 19.0 1.0 O A:HOH609 4.4 19.5 1.0 SG A:CYS95 4.4 14.4 1.0 N A:GLU381 4.5 15.8 1.0 C4B A:4KX501 4.5 18.8 1.0 HE1 A:MET408 4.7 20.0 1.0 HO2 A:HOH609 4.7 23.4 1.0 SG A:CYS128 4.7 15.8 1.0 HB2 A:CYS95 4.8 17.0 1.0 CG A:LEU383 4.8 16.4 1.0 HE3 A:MET408 4.8 20.0 1.0 C A:GLY382 4.8 16.9 1.0 O A:CYS380 4.8 16.9 1.0 HB2 A:LEU383 4.9 20.0 1.0 H1 A:HOH609 4.9 23.4 1.0 HD12 A:LEU383 5.0 22.9 1.0 HG3 A:GLU381 5.0 21.9 1.0 C A:GLU381 5.0 16.6 1.0

Iron binding site 4 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:16.1 occ:1.00 FE4 A:SF4504 0.0 16.1 1.0 S3 A:SF4504 2.3 15.8 1.0 S2 A:SF4504 2.3 16.0 1.0 S1 A:SF4504 2.3 16.2 1.0 SG A:CYS95 2.3 14.4 1.0 FE3 A:SF4504 2.6 16.9 1.0 FE2 A:SF4504 2.7 16.3 1.0 FE1 A:SF4504 2.7 15.7 1.0 HB2 A:CYS95 3.0 17.0 1.0 CB A:CYS95 3.3 14.2 1.0 HZ3 A:TRP134 3.5 20.8 1.0 HB3 A:CYS95 3.7 17.0 1.0 S4 A:SF4504 3.9 16.3 1.0 HB2 A:TYR97 4.0 20.5 1.0 HA A:CYS380 4.0 19.4 1.0 HB2 A:SER130 4.1 20.6 1.0 HE3 A:TRP134 4.3 19.6 1.0 CZ3 A:TRP134 4.3 17.3 1.0 HD2 A:TYR97 4.4 20.8 1.0 O A:HOH609 4.4 19.5 1.0 H1 A:HOH609 4.4 23.4 1.0 HB2 A:MET98 4.5 18.4 1.0 H A:MET98 4.5 17.2 1.0 HA A:CYS95 4.5 16.8 1.0 CA A:CYS95 4.5 14.0 1.0 HE1 A:MET408 4.6 20.0 1.0 HB3 A:SER130 4.6 20.6 1.0 SG A:CYS380 4.6 16.5 1.0 CE3 A:TRP134 4.7 16.3 1.0 H A:GLY382 4.8 19.1 1.0 CB A:SER130 4.8 17.2 1.0 HO2 A:HOH609 4.8 23.4 1.0 HB2 A:CYS380 4.8 20.4 1.0 H4B A:4KX501 4.9 22.6 1.0 CA A:CYS380 4.9 16.1 1.0 H A:TYR97 4.9 19.1 1.0 SG A:CYS128 4.9 15.8 1.0 O A:GLY379 4.9 16.6 1.0

Iron binding site 5 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:17.4 occ:1.00 FE1 B:BJ8401 0.0 17.4 1.0 S9 B:BJ8401 2.3 20.9 1.0 S2 B:BJ8401 2.3 17.6 1.0 S4 B:BJ8401 2.3 18.8 1.0 S3 B:BJ8401 2.3 17.0 1.0 FE4 B:BJ8401 2.7 17.5 1.0 FE2 B:BJ8401 2.7 17.7 1.0 FE3 B:BJ8401 2.8 17.3 1.0 HB2 B:SER239 3.2 24.7 1.0 HD2 B:PHE75 3.3 29.6 1.0 FE8 B:BJ8401 3.5 19.7 1.0 HG B:SER239 3.7 24.9 1.0 S1 B:BJ8401 4.0 16.6 1.0 CB B:SER239 4.0 20.6 1.0 OG B:SER239 4.1 20.7 1.0 CD2 B:PHE75 4.2 24.7 1.0 HB3 B:SER239 4.2 24.7 1.0 HD2 B:TYR103 4.2 38.5 1.0 S7 B:BJ8401 4.3 19.1 1.0 HB3 B:PHE75 4.4 24.0 1.0 HB3 B:CYS100 4.5 23.4 1.0 HE2 B:PHE75 4.5 31.9 1.0 CD2 B:TYR103 4.7 32.0 1.0 S5 B:BJ8401 4.7 17.2 1.0 HB2 B:CYS100 4.7 23.4 1.0 SG B:CYS100 4.8 17.3 1.0 SG B:CYS327 4.8 17.4 1.0 CE2 B:PHE75 4.8 26.6 1.0 SG B:CYS73 4.8 18.8 1.0 HE2 B:TYR103 4.8 35.6 1.0 HB2 B:TYR103 4.9 31.0 1.0 CB B:CYS100 4.9 19.4 1.0 HD2 B:HIS330 5.0 18.0 1.0

Iron binding site 6 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:17.7 occ:1.00 FE2 B:BJ8401 0.0 17.7 1.0 S3 B:BJ8401 2.3 17.0 1.0 SG B:CYS327 2.3 17.4 1.0 S1 B:BJ8401 2.3 16.6 1.0 S4 B:BJ8401 2.3 18.8 1.0 FE4 B:BJ8401 2.6 17.5 1.0 FE3 B:BJ8401 2.7 17.3 1.0 FE1 B:BJ8401 2.7 17.4 1.0 HB2 B:CYS327 3.1 21.8 1.0 CB B:CYS327 3.2 18.1 1.0 HD2 B:PRO329 3.3 22.0 1.0 HA B:CYS327 3.4 18.6 1.0 HG B:SER239 3.6 24.9 1.0 HD2 B:HIS330 3.7 18.0 1.0 HB3 B:SER239 3.8 24.7 1.0 CA B:CYS327 3.8 15.5 1.0 S2 B:BJ8401 3.9 17.6 1.0 HB2 B:SER239 4.0 24.7 1.0 HB3 B:CYS327 4.1 21.8 1.0 CB B:SER239 4.2 20.6 1.0 CD B:PRO329 4.2 18.3 1.0 HB2 B:GLN324 4.2 23.1 1.0 OG B:SER239 4.2 20.7 1.0 HG2 B:PRO329 4.4 22.8 1.0 HB3 B:CYS73 4.4 22.1 1.0 CD2 B:HIS330 4.4 15.0 1.0 C B:CYS327 4.5 17.7 1.0 HD3 B:PRO329 4.5 22.0 1.0 O B:HOH633 4.5 24.6 1.0 SG B:CYS73 4.6 18.8 1.0 SG B:CYS100 4.7 17.3 1.0 HB2 B:CYS73 4.7 22.1 1.0 H B:HIS330 4.7 21.1 1.0 H B:ASP328 4.7 22.8 1.0 HG3 B:GLN324 4.8 24.5 1.0 S9 B:BJ8401 4.8 20.9 1.0 CB B:CYS73 4.8 18.4 1.0 CG B:PRO329 4.8 19.0 1.0 N B:ASP328 4.9 19.0 1.0 HB2 B:HIS330 4.9 19.6 1.0

Iron binding site 7 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:17.3 occ:1.00 FE3 B:BJ8401 0.0 17.3 1.0 SG B:CYS73 2.2 18.8 1.0 S2 B:BJ8401 2.3 17.6 1.0 S1 B:BJ8401 2.3 16.6 1.0 S4 B:BJ8401 2.3 18.8 1.0 FE4 B:BJ8401 2.7 17.5 1.0 FE2 B:BJ8401 2.7 17.7 1.0 FE1 B:BJ8401 2.8 17.4 1.0 HB3 B:CYS73 3.1 22.1 1.0 CB B:CYS73 3.2 18.4 1.0 HB2 B:CYS73 3.4 22.1 1.0 HB3 B:PHE75 3.6 24.0 1.0 HB3 B:CYS76 3.8 20.3 1.0 HB2 B:GLN102 3.9 23.4 1.0 S3 B:BJ8401 3.9 17.0 1.0 HD2 B:PHE75 3.9 29.6 1.0 H B:CYS76 4.1 24.5 1.0 OE1 B:GLN102 4.3 19.1 1.0 HA B:CYS327 4.4 18.6 1.0 HB2 B:CYS327 4.5 21.8 1.0 H B:CYS73 4.5 22.9 1.0 CB B:PHE75 4.5 20.0 1.0 CA B:CYS73 4.6 18.3 1.0 HB3 B:GLN102 4.6 23.4 1.0 H B:PHE75 4.6 23.2 1.0 HG3 B:GLN324 4.7 24.5 1.0 CB B:GLN102 4.7 19.5 1.0 SG B:CYS100 4.7 17.3 1.0 N B:CYS76 4.7 20.4 1.0 HG B:SER239 4.7 24.9 1.0 HB2 B:GLN324 4.7 23.1 1.0 SG B:CYS327 4.7 17.4 1.0 CB B:CYS76 4.8 16.9 1.0 CD B:GLN102 4.8 19.1 1.0 CD2 B:PHE75 4.8 24.7 1.0 S9 B:BJ8401 4.8 20.9 1.0 HB2 B:PHE75 4.9 24.0 1.0 CB B:CYS327 5.0 18.1 1.0 HG B:CYS76 5.0 22.4 1.0

Iron binding site 8 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:17.5 occ:1.00 FE4 B:BJ8401 0.0 17.5 1.0 SG B:CYS100 2.3 17.3 1.0 S2 B:BJ8401 2.3 17.6 1.0 S1 B:BJ8401 2.3 16.6 1.0 S3 B:BJ8401 2.3 17.0 1.0 FE2 B:BJ8401 2.6 17.7 1.0 FE3 B:BJ8401 2.7 17.3 1.0 FE1 B:BJ8401 2.7 17.4 1.0 HB3 B:CYS100 3.1 23.4 1.0 CB B:CYS100 3.1 19.4 1.0 HB2 B:CYS100 3.2 23.4 1.0 HB2 B:GLN102 3.3 23.4 1.0 HG2 B:PRO329 3.7 22.8 1.0 HD2 B:PRO329 3.8 22.0 1.0 S4 B:BJ8401 3.9 18.8 1.0 H B:TYR103 4.1 21.9 1.0 HB2 B:TYR103 4.2 31.0 1.0 HD3 B:PRO329 4.3 22.0 1.0 CB B:GLN102 4.3 19.5 1.0 HG3 B:GLN102 4.3 20.2 1.0 CD B:PRO329 4.3 18.3 1.0 H B:GLN102 4.4 20.2 1.0 CG B:PRO329 4.4 19.0 1.0 CA B:CYS100 4.6 17.8 1.0 SG B:CYS73 4.7 18.8 1.0 SG B:CYS327 4.7 17.4 1.0 CG B:GLN102 4.7 16.9 1.0 N B:TYR103 4.7 18.3 1.0 HD2 B:TYR103 4.7 38.5 1.0 HB3 B:GLN102 4.8 23.4 1.0 S9 B:BJ8401 4.8 20.9 1.0 HA B:CYS327 4.8 18.6 1.0 S7 B:BJ8401 4.8 19.1 1.0 O A:HOH632 4.8 17.7 1.0 CD B:GLN102 4.9 19.1 1.0 HG3 B:PRO329 4.9 22.8 1.0 HA B:CYS100 5.0 21.3 1.0 N B:GLN102 5.0 16.9 1.0

Iron binding site 9 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:19.0 occ:1.00 FE5 B:BJ8401 0.0 19.0 1.0 S6 B:BJ8401 2.3 19.2 1.0 SG B:CYS36 2.3 20.4 1.0 S8 B:BJ8401 2.3 18.1 1.0 S7 B:BJ8401 2.3 19.1 1.0 FE7 B:BJ8401 2.7 19.0 1.0 FE8 B:BJ8401 2.8 19.7 1.0 FE6 B:BJ8401 2.8 18.3 1.0 HG B:SER99 3.0 20.2 0.5 H B:THR37 3.2 19.9 1.0 HA B:CYS36 3.3 26.2 1.0 HB2 B:CYS36 3.3 29.9 1.0 CB B:CYS36 3.4 24.9 1.0 HB3 B:SER99 3.6 23.2 0.5 OG B:SER99 3.7 16.8 0.5 HE2 B:TYR103 3.8 35.6 1.0 HB2 B:SER99 3.8 21.7 0.5 CA B:CYS36 3.8 21.9 1.0 HD2 B:TYR103 3.9 38.5 1.0 N B:THR37 4.0 16.6 1.0 S5 B:BJ8401 4.0 17.2 1.0 HD2 B:TYR38 4.0 23.3 1.0 HB3 B:SER99 4.0 21.7 0.5 CB B:SER99 4.1 18.1 0.5 HG B:SER99 4.1 21.7 0.5 OG1 B:THR37 4.1 18.1 1.0 HB2 B:SER99 4.2 23.2 0.5 HB3 B:CYS36 4.2 29.9 1.0 CB B:SER99 4.3 19.3 0.5 CE2 B:TYR103 4.4 29.7 1.0 C B:CYS36 4.4 24.8 1.0 HG1 B:THR37 4.4 21.7 1.0 CD2 B:TYR103 4.5 32.0 1.0 HB2 B:CYS293 4.5 23.9 1.0 H B:TYR38 4.6 26.2 1.0 OG B:SER99 4.6 18.1 0.5 H B:CYS100 4.6 20.0 0.5 H B:CYS100 4.7 20.0 0.5 HG23 B:THR37 4.7 24.8 1.0 S9 B:BJ8401 4.7 20.9 1.0 SG B:CYS263 4.7 17.9 1.0 CD2 B:TYR38 4.7 19.5 1.0 HE2 B:TYR38 4.7 25.1 1.0 HH22 B:ARG290 4.7 21.7 1.0 SG B:CYS293 4.8 18.4 1.0

Iron binding site 10 out of 24 in the Bzdno-Cyclohexa-1,5-Diene-1-Carboxy-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-Cyclohexa-1,5-Diene-1-Carboxy-Coa Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:18.3 occ:1.00 FE6 B:BJ8401 0.0 18.3 1.0 S5 B:BJ8401 2.3 17.2 1.0 S8 B:BJ8401 2.3 18.1 1.0 S7 B:BJ8401 2.3 19.1 1.0 SG B:CYS293 2.4 18.4 1.0 FE7 B:BJ8401 2.7 19.0 1.0 FE8 B:BJ8401 2.7 19.7 1.0 FE5 B:BJ8401 2.8 19.0 1.0 HB2 B:CYS293 3.0 23.9 1.0 CB B:CYS293 3.3 19.9 1.0 HG B:SER99 3.3 21.7 0.5 HB2 B:SER99 3.7 21.7 0.5 HA B:CYS293 3.9 20.4 1.0 S6 B:BJ8401 3.9 19.2 1.0 HE2 B:HIS330 4.0 22.5 1.0 HB3 B:SER99 4.0 23.2 0.5 HD2 B:PRO294 4.0 21.4 1.0 OG B:SER99 4.0 18.1 0.5 HB3 B:CYS293 4.0 23.9 1.0 CA B:CYS293 4.2 17.0 1.0 H B:CYS100 4.3 20.0 0.5 H B:CYS100 4.3 20.0 0.5 HB2 B:CYS100 4.5 23.4 1.0 CB B:SER99 4.5 19.3 0.5 HG B:SER99 4.5 20.2 0.5 HE2 B:TYR38 4.5 25.1 1.0 S3 B:BJ8401 4.5 17.0 1.0 CB B:SER99 4.6 18.1 0.5 HH22 B:ARG290 4.6 21.7 1.0 SG B:CYS36 4.8 20.4 1.0 HB3 B:SER99 4.8 21.7 0.5 S9 B:BJ8401 4.8 20.9 1.0 NE2 B:HIS330 4.8 18.7 1.0 SG B:CYS263 4.8 17.9 1.0 OG B:SER99 4.8 16.8 0.5 HB2 B:SER99 4.8 23.2 0.5 CD B:PRO294 4.9 17.8 1.0 HD2 B:ARG267 4.9 22.3 1.0 HB3 B:CYS100 4.9 23.4 1.0 HH11 B:ARG267 4.9 19.3 1.0 HB B:THR295 4.9 23.5 1.0 H B:THR295 5.0 19.8 1.0 HD3 B:PRO294 5.0 21.4 1.0

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