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Iron in PDB 2y5n: Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin V in P21 Space Group

Protein crystallography data

The structure of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin V in P21 Space Group, PDB code: 2y5n 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) 75.91 / 1.62
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 82.752, 57.428, 101.929, 90.00, 113.47, 90.00
R / Rfree (%) 11.5 / 18.8

Other elements in 2y5n:

The structure of Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin V in P21 Space Group also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin V in P21 Space Group (pdb code 2y5n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin V in P21 Space Group, PDB code: 2y5n:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2y5n

Go back to Iron Binding Sites List in 2y5n
Iron binding site 1 out of 2 in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin V in P21 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 V in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe450

b:10.2
occ:1.00
FE A:HEM450 0.0 10.2 1.0
NA A:HEM450 2.0 10.0 1.0
ND A:HEM450 2.0 8.6 1.0
NB A:HEM450 2.0 8.8 1.0
NC A:HEM450 2.1 8.8 1.0
O A:HOH2397 2.2 13.3 1.0
SG A:CYS346 2.3 12.0 1.0
C4A A:HEM450 3.0 10.2 1.0
C1D A:HEM450 3.0 8.0 1.0
C4B A:HEM450 3.1 6.9 1.0
C4D A:HEM450 3.1 7.1 1.0
C1B A:HEM450 3.1 8.3 1.0
C1A A:HEM450 3.1 9.7 1.0
C4C A:HEM450 3.1 8.8 1.0
C1C A:HEM450 3.1 9.0 1.0
CB A:CYS346 3.4 7.0 1.0
CHD A:HEM450 3.4 9.4 1.0
CHB A:HEM450 3.4 8.8 1.0
CHC A:HEM450 3.4 7.5 1.0
CHA A:HEM450 3.5 8.0 1.0
CA A:CYS346 4.1 9.3 1.0
C2A A:HEM450 4.3 10.3 1.0
C3B A:HEM450 4.3 7.8 1.0
C3A A:HEM450 4.3 10.0 1.0
C3D A:HEM450 4.3 9.0 1.0
C2D A:HEM450 4.3 8.2 1.0
C2B A:HEM450 4.3 7.9 1.0
C3C A:HEM450 4.3 9.8 1.0
O A:HOH2174 4.3 29.6 1.0
C2C A:HEM450 4.4 8.2 1.0
O A:ALA234 4.4 11.8 1.0
C5 A:MYV460 4.7 13.8 1.0
N A:GLY348 4.8 11.0 1.0
C A:CYS346 4.8 10.3 1.0
N A:LEU347 4.9 11.1 1.0
CB A:ALA234 5.0 10.8 1.0

Iron binding site 2 out of 2 in 2y5n

Go back to Iron Binding Sites List in 2y5n
Iron binding site 2 out of 2 in the Structure of the Mixed-Function P450 Mycg in Complex with Mycinamicin V in P21 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 V in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe450

b:10.7
occ:1.00
FE B:HEM450 0.0 10.7 1.0
NB B:HEM450 2.0 8.7 1.0
NC B:HEM450 2.1 8.5 1.0
NA B:HEM450 2.1 9.8 1.0
ND B:HEM450 2.1 8.2 1.0
O B:HOH2381 2.3 16.3 1.0
SG B:CYS346 2.3 10.3 1.0
C4B B:HEM450 3.0 7.5 1.0
C1B B:HEM450 3.1 7.4 1.0
C1C B:HEM450 3.1 8.0 1.0
C4C B:HEM450 3.1 10.0 1.0
C1A B:HEM450 3.1 9.8 1.0
C4A B:HEM450 3.1 9.6 1.0
C4D B:HEM450 3.1 8.4 1.0
C1D B:HEM450 3.1 8.3 1.0
CB B:CYS346 3.4 8.7 1.0
CHC B:HEM450 3.4 8.4 1.0
CHA B:HEM450 3.4 9.9 1.0
CHB B:HEM450 3.5 8.3 1.0
CHD B:HEM450 3.5 9.9 1.0
CA B:CYS346 4.0 8.9 1.0
C3C B:HEM450 4.3 9.5 1.0
C3B B:HEM450 4.3 8.4 1.0
C2A B:HEM450 4.3 8.9 1.0
C2C B:HEM450 4.3 7.0 1.0
C3A B:HEM450 4.3 9.2 1.0
C2B B:HEM450 4.3 8.4 1.0
C2D B:HEM450 4.3 9.0 1.0
C3D B:HEM450 4.3 9.5 1.0
O B:ALA234 4.5 17.2 1.0
C B:CYS346 4.8 11.1 1.0
N B:GLY348 4.8 10.9 1.0
N B:LEU347 4.9 12.7 1.0
OG B:SER238 5.0 20.2 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 05:07:03 2024

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