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Iron in PDB 1gwi: The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems

Protein crystallography data

The structure of The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems, PDB code: 1gwi was solved by L.M.Podust, Y.Kim, M.Arase, B.A.Neely, B.J.Beck, H.Bach, D.H.Sherman, D.C.Lamb, S.L.Kelly, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.70 / 1.92
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.728, 131.973, 134.886, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 22.8

Iron Binding Sites:

The binding sites of Iron atom in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems (pdb code 1gwi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems, PDB code: 1gwi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1gwi

Go back to Iron Binding Sites List in 1gwi
Iron binding site 1 out of 2 in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1414

b:31.6
occ:1.00
FE A:HEM1414 0.0 31.6 1.0
ND A:HEM1414 2.0 22.2 1.0
NB A:HEM1414 2.0 21.7 1.0
NC A:HEM1414 2.0 21.1 1.0
NA A:HEM1414 2.0 20.3 1.0
O A:HOH2145 2.4 40.1 1.0
SG A:CYS355 2.5 35.0 1.0
C4D A:HEM1414 3.0 22.6 1.0
C1C A:HEM1414 3.0 21.4 1.0
C1B A:HEM1414 3.0 20.7 1.0
C1A A:HEM1414 3.0 21.3 1.0
C1D A:HEM1414 3.1 23.5 1.0
C4B A:HEM1414 3.1 21.7 1.0
C4A A:HEM1414 3.1 20.3 1.0
C4C A:HEM1414 3.1 21.9 1.0
CB A:CYS355 3.4 21.1 1.0
CHA A:HEM1414 3.4 21.8 1.0
CHC A:HEM1414 3.4 21.2 1.0
CHB A:HEM1414 3.4 19.9 1.0
CHD A:HEM1414 3.4 22.8 1.0
O A:ALA242 4.2 22.3 1.0
O A:HOH2177 4.2 41.9 1.0
CA A:CYS355 4.2 22.2 1.0
C2B A:HEM1414 4.3 19.9 1.0
C3B A:HEM1414 4.3 21.2 1.0
C3D A:HEM1414 4.3 23.2 1.0
C2D A:HEM1414 4.3 23.1 1.0
C2A A:HEM1414 4.3 22.4 1.0
C3A A:HEM1414 4.3 21.9 1.0
C2C A:HEM1414 4.3 21.6 1.0
C3C A:HEM1414 4.3 22.6 1.0
CB A:ALA242 4.6 22.3 1.0
C A:ALA242 4.8 22.2 1.0
N A:GLY357 5.0 22.8 1.0
C A:CYS355 5.0 22.1 1.0

Iron binding site 2 out of 2 in 1gwi

Go back to Iron Binding Sites List in 1gwi
Iron binding site 2 out of 2 in the The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1412

b:18.9
occ:1.00
FE B:HEM1412 0.0 18.9 1.0
ND B:HEM1412 2.0 20.9 1.0
NB B:HEM1412 2.0 20.6 1.0
NC B:HEM1412 2.0 20.1 1.0
NA B:HEM1412 2.0 20.7 1.0
SG B:CYS355 2.5 26.2 1.0
O B:HOH2162 2.5 40.1 1.0
C4D B:HEM1412 3.0 20.7 1.0
C1B B:HEM1412 3.0 20.1 1.0
C1A B:HEM1412 3.0 21.0 1.0
C1D B:HEM1412 3.0 20.2 1.0
C1C B:HEM1412 3.0 19.2 1.0
C4B B:HEM1412 3.1 19.2 1.0
C4A B:HEM1412 3.1 20.9 1.0
C4C B:HEM1412 3.1 19.7 1.0
CB B:CYS355 3.4 20.7 1.0
CHA B:HEM1412 3.4 20.5 1.0
CHB B:HEM1412 3.4 21.5 1.0
CHD B:HEM1412 3.4 20.4 1.0
CHC B:HEM1412 3.4 18.6 1.0
CA B:CYS355 4.2 22.3 1.0
C3D B:HEM1412 4.3 19.9 1.0
C2D B:HEM1412 4.3 20.4 1.0
C2A B:HEM1412 4.3 21.1 1.0
C2B B:HEM1412 4.3 18.6 1.0
C3B B:HEM1412 4.3 19.4 1.0
C3A B:HEM1412 4.3 20.5 1.0
C2C B:HEM1412 4.3 19.9 1.0
C3C B:HEM1412 4.3 19.0 1.0
O B:ALA242 4.3 20.6 1.0
CB B:ALA242 4.5 20.4 1.0
C B:ALA242 4.8 19.7 1.0
C B:CYS355 5.0 21.6 1.0
N B:GLY357 5.0 21.7 1.0

Reference:

L.M.Podust, Y.Kim, M.Arase, B.A.Neely, B.J.Beck, H.Bach, D.H.Sherman, D.C.Lamb, S.L.Kelly, M.R.Waterman. The 1.92 A Structure of Streptomyces Coelicolor A3(2) CYP154C1: A New Monooxygenase That Functionalizes Macrolide Ring Systems J.Biol.Chem. V. 278 12214 2003.
ISSN: ISSN 0021-9258
PubMed: 12519772
DOI: 10.1074/JBC.M212210200
Page generated: Sun Dec 13 14:16:19 2020

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