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Iron in PDB 8a8l: Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment

Enzymatic activity of Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment

All present enzymatic activity of Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment:
1.14.15.13;

Protein crystallography data

The structure of Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment, PDB code: 8a8l was solved by M.Snee, M.Katariya, C.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.10 / 1.88
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 80.77, 108.169, 105.25, 90, 90, 90
R / Rfree (%) 19.8 / 23.6

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment (pdb code 8a8l). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment, PDB code: 8a8l:

Iron binding site 1 out of 1 in 8a8l

Go back to Iron Binding Sites List in 8a8l
Iron binding site 1 out of 1 in the Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:29.4
occ:1.00
 FE A:HEM401 0.0 29.4 1.0
NB A:HEM401 2.0 28.5 1.0
ND A:HEM401 2.0 30.5 1.0
NC A:HEM401 2.0 30.7 1.0
NA A:HEM401 2.1 23.9 1.0
SG A:CYS350 2.2 30.7 1.0
N2 A:LBJ406 2.4 58.9 0.7
H11 A:LBJ406 2.4 68.4 0.7
O A:HOH501 2.5 45.7 0.3
H10 A:LBJ406 2.5 68.4 0.7
C11 A:LBJ406 2.6 57.0 0.7
H12 A:LBJ406 2.9 70.7 0.7
C1C A:HEM401 3.0 35.5 1.0
C4B A:HEM401 3.0 33.3 1.0
C1D A:HEM401 3.0 40.1 1.0
C4D A:HEM401 3.0 37.5 1.0
C1B A:HEM401 3.1 31.9 1.0
C4C A:HEM401 3.1 32.7 1.0
C1A A:HEM401 3.1 34.2 1.0
C4A A:HEM401 3.1 31.1 1.0
HB2 A:CYS350 3.2 35.9 1.0
H14 A:LBJ406 3.3 70.7 0.7
CB A:CYS350 3.3 29.8 1.0
CHC A:HEM401 3.3 30.2 1.0
C12 A:LBJ406 3.4 58.9 0.7
CHA A:HEM401 3.4 34.9 1.0
CHD A:HEM401 3.4 32.4 1.0
CHB A:HEM401 3.5 29.5 1.0
H13 A:LBJ406 3.7 70.7 0.7
HA A:CYS350 3.8 32.1 1.0
HB1 A:ALA231 3.9 56.5 1.0
HB3 A:CYS350 4.1 35.9 1.0
C10 A:LBJ406 4.1 58.1 0.7
CA A:CYS350 4.1 26.7 1.0
H A:GLY352 4.1 42.8 1.0
C3B A:HEM401 4.2 26.0 1.0
C2C A:HEM401 4.3 35.0 1.0
C2B A:HEM401 4.3 25.5 1.0
C2D A:HEM401 4.3 33.8 1.0
C3C A:HEM401 4.3 32.0 1.0
C3D A:HEM401 4.3 28.8 1.0
HD1 A:PHE343 4.3 33.3 1.0
HHC A:HEM401 4.3 36.3 1.0
C3A A:HEM401 4.3 27.8 1.0
C2A A:HEM401 4.3 32.5 1.0
HHA A:HEM401 4.4 42.0 1.0
HHD A:HEM401 4.4 39.0 1.0
HHB A:HEM401 4.4 35.4 1.0
H9 A:LBJ406 4.5 69.8 0.7
H8 A:LBJ406 4.5 69.8 0.7
C6 A:LBJ406 4.6 59.4 0.7
O A:ALA231 4.8 45.5 1.0
HG2 A:PRO235 4.8 50.4 1.0
H A:VAL351 4.8 39.5 1.0
CB A:ALA231 4.8 47.0 1.0
C A:CYS350 4.8 25.2 1.0
HA3 A:GLY352 4.8 41.8 1.0
C7 A:LBJ406 4.8 60.5 0.7
N A:GLY352 4.9 35.6 1.0

Reference:

M.Snee, M.Katariya. Crystal Structure of A Staphylococcal Orthologue of CYP134A1 (Cypx) in Complex with A Heme-Coordinated Fragment To Be Published.
Page generated: Fri Aug 9 16:11:34 2024

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