Atomistry » Iron » PDB 6f0a-6fkt » 6f88
Atomistry »
  Iron »
    PDB 6f0a-6fkt »
      6f88 »

Iron in PDB 6f88: Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone

Protein crystallography data

The structure of Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone, PDB code: 6f88 was solved by I.K.Jozwik, A.M.W.H.Thunnissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.49 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 100.886, 65.824, 128.963, 90.00, 112.84, 90.00
R / Rfree (%) 16.7 / 20.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone (pdb code 6f88). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone, PDB code: 6f88:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 6f88

Go back to Iron Binding Sites List in 6f88
Iron binding site 1 out of 3 in the Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone


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 Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.8
occ:1.00
FE A:HEM501 0.0 14.8 1.0
NA A:HEM501 2.0 13.5 1.0
NC A:HEM501 2.1 12.4 1.0
ND A:HEM501 2.1 13.9 1.0
NB A:HEM501 2.1 11.4 1.0
SG A:CYS340 2.3 15.4 1.0
C1C A:HEM501 3.0 11.8 1.0
C1A A:HEM501 3.0 10.8 1.0
C1D A:HEM501 3.1 15.1 1.0
C4D A:HEM501 3.1 11.8 1.0
C4C A:HEM501 3.1 15.3 1.0
C4B A:HEM501 3.1 14.7 1.0
C1B A:HEM501 3.1 11.8 1.0
C4A A:HEM501 3.1 14.3 1.0
CB A:CYS340 3.4 11.8 1.0
CHC A:HEM501 3.4 12.2 1.0
CHA A:HEM501 3.4 11.1 1.0
CHD A:HEM501 3.4 17.8 1.0
CHB A:HEM501 3.5 12.5 1.0
CA A:CYS340 4.2 14.5 1.0
C3C A:HEM501 4.3 15.7 1.0
C2C A:HEM501 4.3 16.1 1.0
C2A A:HEM501 4.3 13.6 1.0
C2D A:HEM501 4.3 17.9 1.0
C3D A:HEM501 4.3 14.1 1.0
C3A A:HEM501 4.3 12.9 1.0
C3B A:HEM501 4.3 15.4 1.0
C2B A:HEM501 4.3 12.6 1.0
C1 A:STR502 4.4 15.1 1.0
N A:GLY342 4.7 19.4 1.0
C A:CYS340 4.8 16.8 1.0
CA A:GLY229 4.9 22.7 1.0
N A:VAL341 4.9 19.2 1.0

Iron binding site 2 out of 3 in 6f88

Go back to Iron Binding Sites List in 6f88
Iron binding site 2 out of 3 in the Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:16.2
occ:0.60
FE B:HEM501 0.0 16.2 0.6
FE B:HEM501 0.0 15.9 0.4
NB B:HEM501 2.0 15.9 0.4
NC B:HEM501 2.0 13.8 0.4
ND B:HEM501 2.0 14.8 0.4
NA B:HEM501 2.0 13.9 0.4
NC B:HEM501 2.0 16.2 0.6
ND B:HEM501 2.1 13.9 0.6
NA B:HEM501 2.1 14.9 0.6
NB B:HEM501 2.1 13.8 0.6
SG B:CYS340 2.3 15.6 1.0
C4C B:HEM501 3.0 12.8 0.4
C4B B:HEM501 3.0 11.3 0.4
C1B B:HEM501 3.0 16.7 0.4
C1D B:HEM501 3.0 13.1 0.4
C4C B:HEM501 3.0 16.7 0.6
C4A B:HEM501 3.0 17.3 0.4
C1C B:HEM501 3.0 11.2 0.6
C1C B:HEM501 3.1 13.7 0.4
C1D B:HEM501 3.1 17.4 0.6
C4A B:HEM501 3.1 13.1 0.6
C4D B:HEM501 3.1 14.2 0.4
C1B B:HEM501 3.1 12.8 0.6
C4B B:HEM501 3.1 13.7 0.6
C1A B:HEM501 3.1 16.9 0.4
C4D B:HEM501 3.1 17.0 0.6
C1A B:HEM501 3.1 14.2 0.6
CB B:CYS340 3.3 15.2 1.0
CHD B:HEM501 3.4 15.8 0.4
CHB B:HEM501 3.4 17.7 0.4
CHD B:HEM501 3.4 17.8 0.6
CHC B:HEM501 3.4 12.6 0.4
CHB B:HEM501 3.4 15.9 0.6
CHC B:HEM501 3.4 12.6 0.6
CHA B:HEM501 3.5 17.4 0.4
CHA B:HEM501 3.5 17.4 0.6
CA B:CYS340 4.1 14.1 1.0
C1 B:STR502 4.2 15.6 1.0
C3B B:HEM501 4.2 14.1 0.4
C2B B:HEM501 4.2 16.7 0.4
C3C B:HEM501 4.2 13.8 0.4
C2D B:HEM501 4.2 14.4 0.4
C2C B:HEM501 4.2 14.1 0.6
C3C B:HEM501 4.2 16.9 0.6
C2C B:HEM501 4.3 12.6 0.4
C3A B:HEM501 4.3 14.4 0.6
C3A B:HEM501 4.3 17.6 0.4
C3D B:HEM501 4.3 16.3 0.4
C2D B:HEM501 4.3 17.8 0.6
C2A B:HEM501 4.3 18.1 0.4
C3B B:HEM501 4.3 12.8 0.6
C2B B:HEM501 4.3 13.7 0.6
C2A B:HEM501 4.3 16.4 0.6
C3D B:HEM501 4.3 18.1 0.6
N B:GLY342 4.8 17.2 1.0
C9 B:STR502 4.8 14.9 1.0
C B:CYS340 4.8 18.2 1.0
N B:VAL341 4.9 16.7 1.0

Iron binding site 3 out of 3 in 6f88

Go back to Iron Binding Sites List in 6f88
Iron binding site 3 out of 3 in the Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Cytochrome P450 CYP260A1 (S276N) Bound with Progesterone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:15.9
occ:0.40
FE B:HEM501 0.0 15.9 0.4
FE B:HEM501 0.0 16.2 0.6
NB B:HEM501 2.0 15.9 0.4
ND B:HEM501 2.0 14.8 0.4
NC B:HEM501 2.0 13.8 0.4
NA B:HEM501 2.0 13.9 0.4
ND B:HEM501 2.1 13.9 0.6
NC B:HEM501 2.1 16.2 0.6
NA B:HEM501 2.1 14.9 0.6
NB B:HEM501 2.1 13.8 0.6
SG B:CYS340 2.3 15.6 1.0
C1D B:HEM501 3.0 13.1 0.4
C4C B:HEM501 3.0 12.8 0.4
C1B B:HEM501 3.0 16.7 0.4
C4B B:HEM501 3.0 11.3 0.4
C4A B:HEM501 3.0 17.3 0.4
C4C B:HEM501 3.0 16.7 0.6
C1D B:HEM501 3.1 17.4 0.6
C4A B:HEM501 3.1 13.1 0.6
C1C B:HEM501 3.1 11.2 0.6
C4D B:HEM501 3.1 14.2 0.4
C1C B:HEM501 3.1 13.7 0.4
C1A B:HEM501 3.1 16.9 0.4
C1B B:HEM501 3.1 12.8 0.6
C1A B:HEM501 3.1 14.2 0.6
C4D B:HEM501 3.1 17.0 0.6
C4B B:HEM501 3.1 13.7 0.6
CB B:CYS340 3.3 15.2 1.0
CHD B:HEM501 3.4 15.8 0.4
CHB B:HEM501 3.4 17.7 0.4
CHD B:HEM501 3.4 17.8 0.6
CHC B:HEM501 3.4 12.6 0.4
CHB B:HEM501 3.4 15.9 0.6
CHC B:HEM501 3.5 12.6 0.6
CHA B:HEM501 3.5 17.4 0.4
CHA B:HEM501 3.5 17.4 0.6
CA B:CYS340 4.1 14.1 1.0
C1 B:STR502 4.2 15.6 1.0
C3B B:HEM501 4.2 14.1 0.4
C2B B:HEM501 4.2 16.7 0.4
C2D B:HEM501 4.2 14.4 0.4
C3C B:HEM501 4.2 13.8 0.4
C3C B:HEM501 4.2 16.9 0.6
C2C B:HEM501 4.2 14.1 0.6
C3A B:HEM501 4.3 14.4 0.6
C3A B:HEM501 4.3 17.6 0.4
C3D B:HEM501 4.3 16.3 0.4
C2C B:HEM501 4.3 12.6 0.4
C2D B:HEM501 4.3 17.8 0.6
C2A B:HEM501 4.3 18.1 0.4
C2A B:HEM501 4.3 16.4 0.6
C3D B:HEM501 4.3 18.1 0.6
C3B B:HEM501 4.3 12.8 0.6
C2B B:HEM501 4.3 13.7 0.6
N B:GLY342 4.8 17.2 1.0
C9 B:STR502 4.8 14.9 1.0
C B:CYS340 4.8 18.2 1.0
N B:VAL341 4.9 16.7 1.0

Reference:

Y.Khatri, I.K.Jozwik, M.Ringle, I.A.Ionescu, M.Litzenburger, M.C.Hutter, A.W.H.Thunnissen, R.Bernhardt. Structure-Based Engineering of Steroidogenic CYP260A1 For Stereo- and Regioselective Hydroxylation of Progesterone. Acs Chem. Biol. V. 13 1021 2018.
ISSN: ESSN 1554-8937
PubMed: 29509407
DOI: 10.1021/ACSCHEMBIO.8B00026
Page generated: Sun Dec 13 16:25:50 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy