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Iron in PDB 2y46: Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group

Protein crystallography data

The structure of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group, PDB code: 2y46 was solved by S.Li, P.M.Kells, D.H.Sherman, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 220.77 / 1.83
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 58.271, 101.013, 441.534, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 23.3

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group (pdb code 2y46). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group, PDB code: 2y46:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 2y46

Go back to Iron Binding Sites List in 2y46
Iron binding site 1 out of 3 in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe450

b:13.3
occ:1.00
FE A:HEM450 0.0 13.3 1.0
NC A:HEM450 2.0 9.7 1.0
NA A:HEM450 2.0 10.3 1.0
NB A:HEM450 2.1 11.8 1.0
ND A:HEM450 2.1 10.3 1.0
SG A:CYS346 2.3 12.9 1.0
O A:HOH2179 2.5 24.0 1.0
C1C A:HEM450 3.0 11.9 1.0
C1A A:HEM450 3.0 11.6 1.0
C4C A:HEM450 3.0 11.4 1.0
C4A A:HEM450 3.0 11.3 1.0
C4B A:HEM450 3.1 10.3 1.0
C4D A:HEM450 3.1 11.1 1.0
C1B A:HEM450 3.1 11.6 1.0
C1D A:HEM450 3.1 11.1 1.0
CB A:CYS346 3.3 8.7 1.0
CHA A:HEM450 3.4 11.7 1.0
CHC A:HEM450 3.4 10.7 1.0
CHB A:HEM450 3.5 10.5 1.0
CHD A:HEM450 3.5 10.2 1.0
CA A:CYS346 4.0 10.9 1.0
C2C A:HEM450 4.2 10.9 1.0
C3C A:HEM450 4.2 11.4 1.0
C2A A:HEM450 4.2 10.2 1.0
C3A A:HEM450 4.3 11.1 1.0
C3B A:HEM450 4.3 10.6 1.0
C3D A:HEM450 4.3 10.8 1.0
O A:ALA234 4.3 16.1 1.0
C2B A:HEM450 4.4 10.3 1.0
C2D A:HEM450 4.4 9.4 1.0
C A:CYS346 4.7 13.1 1.0
C32 A:MIV460 4.8 29.8 1.0
N A:GLY348 4.8 13.9 1.0
N A:LEU347 4.8 15.0 1.0
CB A:ALA234 4.9 15.9 1.0

Iron binding site 2 out of 3 in 2y46

Go back to Iron Binding Sites List in 2y46
Iron binding site 2 out of 3 in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe450

b:12.9
occ:1.00
FE B:HEM450 0.0 12.9 1.0
NC B:HEM450 2.0 10.1 1.0
NA B:HEM450 2.0 10.0 1.0
ND B:HEM450 2.1 10.1 1.0
NB B:HEM450 2.1 12.2 1.0
SG B:CYS346 2.3 12.8 1.0
O B:HOH2184 2.4 21.8 1.0
C1C B:HEM450 3.0 12.7 1.0
C4C B:HEM450 3.0 11.4 1.0
C1A B:HEM450 3.0 12.1 1.0
C4D B:HEM450 3.0 11.2 1.0
C4A B:HEM450 3.1 11.9 1.0
C4B B:HEM450 3.1 10.4 1.0
C1D B:HEM450 3.1 9.7 1.0
C1B B:HEM450 3.1 11.0 1.0
CB B:CYS346 3.3 8.2 1.0
CHA B:HEM450 3.4 11.1 1.0
CHC B:HEM450 3.5 10.9 1.0
CHD B:HEM450 3.5 10.8 1.0
CHB B:HEM450 3.5 11.1 1.0
CA B:CYS346 4.0 10.0 1.0
C3C B:HEM450 4.2 12.1 1.0
C2C B:HEM450 4.2 11.3 1.0
O B:ALA234 4.2 16.0 1.0
C2A B:HEM450 4.3 10.2 1.0
C3A B:HEM450 4.3 10.3 1.0
C3D B:HEM450 4.3 11.1 1.0
C3B B:HEM450 4.3 12.3 1.0
C2D B:HEM450 4.3 9.8 1.0
C2B B:HEM450 4.4 11.4 1.0
N B:GLY348 4.7 15.4 1.0
C B:CYS346 4.7 12.8 1.0
N B:LEU347 4.8 14.6 1.0
C32 B:MIV460 4.8 25.7 1.0
CB B:ALA234 4.9 17.0 1.0

Iron binding site 3 out of 3 in 2y46

Go back to Iron Binding Sites List in 2y46
Iron binding site 3 out of 3 in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin IV in C 2 2 21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe450

b:13.0
occ:1.00
FE C:HEM450 0.0 13.0 1.0
NA C:HEM450 2.0 10.1 1.0
NC C:HEM450 2.0 9.2 1.0
ND C:HEM450 2.1 10.8 1.0
NB C:HEM450 2.1 10.9 1.0
SG C:CYS346 2.4 12.4 1.0
O C:HOH2192 2.5 22.1 1.0
C4A C:HEM450 3.0 10.4 1.0
C4C C:HEM450 3.0 10.5 1.0
C1A C:HEM450 3.1 11.5 1.0
C1C C:HEM450 3.1 10.7 1.0
C4D C:HEM450 3.1 10.4 1.0
C4B C:HEM450 3.1 10.2 1.0
C1D C:HEM450 3.1 10.1 1.0
C1B C:HEM450 3.1 10.6 1.0
CB C:CYS346 3.3 8.4 1.0
CHB C:HEM450 3.4 9.4 1.0
CHA C:HEM450 3.4 10.9 1.0
CHD C:HEM450 3.5 9.0 1.0
CHC C:HEM450 3.5 9.6 1.0
CA C:CYS346 4.1 10.4 1.0
C3C C:HEM450 4.3 10.6 1.0
C3A C:HEM450 4.3 10.4 1.0
C2A C:HEM450 4.3 9.8 1.0
C2C C:HEM450 4.3 10.7 1.0
C3D C:HEM450 4.3 10.7 1.0
C2D C:HEM450 4.3 9.5 1.0
C3B C:HEM450 4.3 10.8 1.0
C2B C:HEM450 4.4 11.0 1.0
O C:ALA234 4.4 16.6 1.0
O C:HOH2194 4.7 55.2 1.0
C C:CYS346 4.7 12.6 1.0
N C:GLY348 4.8 14.3 1.0
N C:LEU347 4.8 14.2 1.0
C32 C:MIV460 4.8 28.1 1.0
CB C:ALA234 4.9 16.9 1.0

Reference:

S.Li, D.R.Tietz, F.U.Rutaganira, P.M.Kells, Y.Anzai, F.Kato, T.C.Pochapsky, D.H.Sherman, L.M.Podust. Substrate Recognition By the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem. V. 287 37880 2012.
ISSN: ISSN 0021-9258
PubMed: 22952225
DOI: 10.1074/JBC.M112.410340
Page generated: Sun Aug 4 05:05:26 2024

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