Iron in PDB 8ukz: Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation

Protein crystallography data

The structure of Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation, PDB code: 8ukz was solved by M.H.Hansen, M.J.Cryle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.24 / 1.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.957, 94.48, 105.985, 90, 92.68, 90
R / Rfree (%) 20.5 / 22.3

Other elements in 8ukz:

The structure of Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation also contains other interesting chemical elements:

Fluorine (F) 12 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation (pdb code 8ukz). 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 P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation, PDB code: 8ukz:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 8ukz

Go back to Iron Binding Sites List in 8ukz
Iron binding site 1 out of 3 in the Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:27.0
occ:1.00
FE A:HEM401 0.0 27.0 1.0
NB A:HEM401 2.0 27.5 1.0
NA A:HEM401 2.0 29.5 1.0
NC A:HEM401 2.0 27.7 1.0
ND A:HEM401 2.1 28.5 1.0
SG A:CYS344 2.3 28.2 1.0
O A:HOH539 2.8 39.1 1.0
C4B A:HEM401 3.0 30.5 1.0
C1B A:HEM401 3.1 27.1 1.0
C1C A:HEM401 3.1 31.8 1.0
C1A A:HEM401 3.1 28.7 1.0
C4A A:HEM401 3.1 30.6 1.0
C4D A:HEM401 3.1 30.0 1.0
C4C A:HEM401 3.1 29.2 1.0
C1D A:HEM401 3.1 31.2 1.0
HB2 A:CYS344 3.2 34.5 1.0
CB A:CYS344 3.3 28.7 1.0
CHC A:HEM401 3.4 29.3 1.0
CHB A:HEM401 3.4 31.1 1.0
CHA A:HEM401 3.4 29.2 1.0
CHD A:HEM401 3.5 31.4 1.0
HA A:CYS344 3.6 34.6 1.0
H A:GLY346 3.8 38.8 1.0
HB1 A:ALA235 3.9 46.2 1.0
CA A:CYS344 4.0 28.7 1.0
HB3 A:CYS344 4.2 34.5 1.0
C3B A:HEM401 4.2 29.3 1.0
C2B A:HEM401 4.2 28.4 1.0
C2A A:HEM401 4.3 30.9 1.0
C2C A:HEM401 4.3 29.7 1.0
C3A A:HEM401 4.3 27.9 1.0
C3C A:HEM401 4.3 31.0 1.0
C3D A:HEM401 4.3 32.2 1.0
C2D A:HEM401 4.3 28.0 1.0
H A:LEU345 4.4 35.4 1.0
HHC A:HEM401 4.4 35.2 1.0
HHB A:HEM401 4.4 37.5 1.0
HHA A:HEM401 4.4 35.1 1.0
HHD A:HEM401 4.5 37.8 1.0
HD1 A:PHE337 4.5 35.4 1.0
N A:GLY346 4.7 32.2 1.0
N A:LEU345 4.7 29.4 1.0
C A:CYS344 4.7 29.7 1.0
CB A:ALA235 4.8 38.5 1.0
HB3 A:ALA235 4.8 46.2 1.0
OG A:SER239 4.8 37.4 1.0
HA3 A:GLY346 4.9 35.9 1.0
HB2 A:SER239 4.9 38.7 1.0

Iron binding site 2 out of 3 in 8ukz

Go back to Iron Binding Sites List in 8ukz
Iron binding site 2 out of 3 in the Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:30.2
occ:1.00
FE B:HEM401 0.0 30.2 1.0
NC B:HEM401 2.0 29.4 1.0
ND B:HEM401 2.0 26.5 1.0
NA B:HEM401 2.1 24.9 1.0
NB B:HEM401 2.1 26.8 1.0
SG B:CYS344 2.3 30.2 1.0
C1C B:HEM401 3.0 31.5 1.0
C4B B:HEM401 3.0 30.4 1.0
C4D B:HEM401 3.1 28.8 1.0
C1D B:HEM401 3.1 28.3 1.0
C4C B:HEM401 3.1 28.9 1.0
C1A B:HEM401 3.1 28.8 1.0
C1B B:HEM401 3.1 29.4 1.0
C4A B:HEM401 3.1 28.8 1.0
HB2 B:CYS344 3.2 31.1 1.0
CB B:CYS344 3.3 25.8 1.0
CHC B:HEM401 3.4 29.7 1.0
CHD B:HEM401 3.4 28.4 1.0
CHA B:HEM401 3.4 29.8 1.0
CHB B:HEM401 3.5 31.9 1.0
HA B:CYS344 3.6 37.4 1.0
HB1 B:ALA235 3.9 43.7 1.0
H B:GLY346 3.9 36.6 1.0
CA B:CYS344 4.0 31.1 1.0
HB3 B:CYS344 4.1 31.1 1.0
C2C B:HEM401 4.3 29.2 1.0
C3B B:HEM401 4.3 27.6 1.0
C3C B:HEM401 4.3 31.1 1.0
C2D B:HEM401 4.3 29.6 1.0
C3D B:HEM401 4.3 27.0 1.0
C2B B:HEM401 4.3 31.3 1.0
C2A B:HEM401 4.3 26.7 1.0
C3A B:HEM401 4.3 27.9 1.0
HD1 B:PHE337 4.4 37.1 1.0
HHA B:HEM401 4.4 35.8 1.0
HHC B:HEM401 4.4 35.7 1.0
HHD B:HEM401 4.4 34.2 1.0
HHB B:HEM401 4.4 38.4 1.0
H B:LEU345 4.4 38.7 1.0
C B:CYS344 4.7 28.5 1.0
N B:GLY346 4.7 30.4 1.0
CB B:ALA235 4.7 36.3 1.0
HB3 B:ALA235 4.7 43.7 1.0
N B:LEU345 4.7 32.2 1.0
OG B:SER239 4.9 38.2 1.0
HA3 B:GLY346 4.9 36.7 1.0
HB2 B:SER239 4.9 37.7 1.0

Iron binding site 3 out of 3 in 8ukz

Go back to Iron Binding Sites List in 8ukz
Iron binding site 3 out of 3 in the Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:33.9
occ:1.00
FE C:HEM401 0.0 33.9 1.0
NC C:HEM401 2.0 35.0 1.0
ND C:HEM401 2.0 35.2 1.0
NB C:HEM401 2.1 37.2 1.0
NA C:HEM401 2.1 39.0 1.0
SG C:CYS344 2.3 36.6 1.0
C4C C:HEM401 3.0 36.3 1.0
C1D C:HEM401 3.0 34.9 1.0
C1C C:HEM401 3.0 34.9 1.0
C4D C:HEM401 3.0 35.7 1.0
C4B C:HEM401 3.1 37.1 1.0
C1B C:HEM401 3.1 36.9 1.0
C1A C:HEM401 3.1 39.0 1.0
C4A C:HEM401 3.1 37.8 1.0
HB2 C:CYS344 3.3 46.9 1.0
CB C:CYS344 3.4 39.0 1.0
CHD C:HEM401 3.4 36.5 1.0
CHC C:HEM401 3.4 36.8 1.0
CHA C:HEM401 3.4 37.9 1.0
CHB C:HEM401 3.4 39.9 1.0
HA C:CYS344 3.6 48.6 1.0
H C:GLY346 3.8 49.9 1.0
HB1 C:ALA235 4.0 61.7 1.0
CA C:CYS344 4.0 40.4 1.0
HB3 C:CYS344 4.2 46.9 1.0
C2D C:HEM401 4.3 32.4 1.0
C3D C:HEM401 4.3 36.5 1.0
C3C C:HEM401 4.3 35.2 1.0
C2C C:HEM401 4.3 32.6 1.0
C3B C:HEM401 4.3 39.9 1.0
C2B C:HEM401 4.3 38.0 1.0
C2A C:HEM401 4.3 40.5 1.0
C3A C:HEM401 4.3 39.3 1.0
HD1 C:PHE337 4.3 43.0 1.0
H C:LEU345 4.4 52.5 1.0
HHD C:HEM401 4.4 43.9 1.0
HHC C:HEM401 4.4 44.2 1.0
HHA C:HEM401 4.4 45.6 1.0
HHB C:HEM401 4.4 48.0 1.0
N C:GLY346 4.6 41.5 1.0
N C:LEU345 4.7 43.7 1.0
C C:CYS344 4.7 41.2 1.0
HB3 C:ALA235 4.8 61.7 1.0
HA3 C:GLY346 4.8 49.1 1.0
CB C:ALA235 4.8 51.4 1.0

Reference:

M.H.Hansen, A.Keto, M.Treisman, V.M.Sasi, L.Coe, Y.Zhao, L.Padva, C.Hess, V.Leichthammer, D.L.Machell, R.B.Schittenhelm, C.J.Jackson, J.Tailhades, M.Crusemann, J.J.De Voss, E.H.Krenske, M.J.Cryle. Structural Insights Into A Side Chain Cross-Linking Biarylitide P450 From Ripp Biosynthesis Acs Catalysis 812 2024.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.3C05417
Page generated: Sat Aug 10 18:36:50 2024

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