Atomistry » Iron » PDB 4oyn-4q1o » 4pxh
Atomistry »
  Iron »
    PDB 4oyn-4q1o »
      4pxh »

Iron in PDB 4pxh: Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain

Enzymatic activity of Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain

All present enzymatic activity of Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain:
1.14.14.1;

Protein crystallography data

The structure of Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain, PDB code: 4pxh was solved by K.Haslinger, M.J.Cryle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.89 / 2.70
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 161.700, 161.700, 337.490, 90.00, 90.00, 120.00
R / Rfree (%) 21.4 / 24.6

Iron Binding Sites:

The binding sites of Iron atom in the Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain (pdb code 4pxh). 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 P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain, PDB code: 4pxh:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 4pxh

Go back to Iron Binding Sites List in 4pxh
Iron binding site 1 out of 3 in the Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:32.9
occ:1.00
 FE A:HEM501 0.0 32.9 1.0
N3 B:KH4101 2.0 33.6 1.0
NA A:HEM501 2.0 33.2 1.0
NC A:HEM501 2.1 33.7 1.0
NB A:HEM501 2.1 33.7 1.0
ND A:HEM501 2.1 33.7 1.0
SG A:CYS357 2.3 33.3 1.0
C4 B:KH4101 3.0 33.8 1.0
C2 B:KH4101 3.0 34.0 1.0
C4C A:HEM501 3.1 34.1 1.0
C4A A:HEM501 3.1 33.0 1.0
C1C A:HEM501 3.1 33.8 1.0
C1B A:HEM501 3.1 33.3 1.0
C1A A:HEM501 3.1 33.2 1.0
C4B A:HEM501 3.1 33.6 1.0
C1D A:HEM501 3.1 33.5 1.0
C4D A:HEM501 3.1 33.5 1.0
CHD A:HEM501 3.4 33.9 1.0
CHB A:HEM501 3.4 33.1 1.0
CHC A:HEM501 3.4 33.9 1.0
CHA A:HEM501 3.4 33.5 1.0
CB A:CYS357 3.5 33.2 1.0
N4 B:KH4101 4.2 34.4 1.0
C5 B:KH4101 4.2 35.5 1.0
CA A:CYS357 4.3 33.5 1.0
C3C A:HEM501 4.3 34.2 1.0
C2C A:HEM501 4.3 34.1 1.0
C3A A:HEM501 4.3 33.2 1.0
C2B A:HEM501 4.3 33.3 1.0
C2A A:HEM501 4.3 33.2 1.0
C3B A:HEM501 4.3 33.8 1.0
C2D A:HEM501 4.3 33.4 1.0
C3D A:HEM501 4.4 33.6 1.0
O A:GLY247 4.8 38.3 1.0
N A:GLY359 4.8 34.7 1.0
N A:LEU358 4.8 34.6 1.0
C A:CYS357 4.9 34.1 1.0

Iron binding site 2 out of 3 in 4pxh

Go back to Iron Binding Sites List in 4pxh
Iron binding site 2 out of 3 in the Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe501

b:31.9
occ:1.00
 FE C:HEM501 0.0 31.9 1.0
N3 D:KH4101 2.0 34.1 1.0
NA C:HEM501 2.0 31.8 1.0
NC C:HEM501 2.1 32.9 1.0
NB C:HEM501 2.1 32.8 1.0
ND C:HEM501 2.1 32.5 1.0
SG C:CYS357 2.3 32.3 1.0
C4 D:KH4101 2.9 34.9 1.0
C2 D:KH4101 3.0 35.0 1.0
C4A C:HEM501 3.1 31.9 1.0
C1B C:HEM501 3.1 32.3 1.0
C1C C:HEM501 3.1 33.2 1.0
C1A C:HEM501 3.1 31.7 1.0
C4C C:HEM501 3.1 33.1 1.0
C4B C:HEM501 3.1 32.7 1.0
C4D C:HEM501 3.1 32.1 1.0
C1D C:HEM501 3.1 32.5 1.0
CHB C:HEM501 3.4 32.1 1.0
CHC C:HEM501 3.4 32.9 1.0
CHD C:HEM501 3.4 32.7 1.0
CHA C:HEM501 3.4 31.9 1.0
CB C:CYS357 3.5 32.7 1.0
C5 D:KH4101 4.1 36.2 1.0
N4 D:KH4101 4.2 35.2 1.0
CA C:CYS357 4.2 33.1 1.0
C3A C:HEM501 4.3 32.0 1.0
C2B C:HEM501 4.3 32.8 1.0
C2C C:HEM501 4.3 33.3 1.0
C2A C:HEM501 4.3 31.8 1.0
C3C C:HEM501 4.3 33.2 1.0
C3B C:HEM501 4.3 33.1 1.0
C3D C:HEM501 4.4 32.1 1.0
C2D C:HEM501 4.4 32.3 1.0
N C:LEU358 4.8 34.6 1.0
N C:GLY359 4.8 35.9 1.0
C C:CYS357 4.9 34.1 1.0
O C:GLY247 5.0 37.1 1.0

Iron binding site 3 out of 3 in 4pxh

Go back to Iron Binding Sites List in 4pxh
Iron binding site 3 out of 3 in the Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of P450SKY (CYP163B3), A Cytochrome P450 From Skyllamycin Biosynthesis in Complex with A Peptidyl Carrier Protein Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe501

b:36.7
occ:1.00
 FE E:HEM501 0.0 36.7 1.0
N3 F:KH4101 2.0 38.4 1.0
NA E:HEM501 2.0 37.1 1.0
NC E:HEM501 2.0 37.5 1.0
NB E:HEM501 2.1 37.7 1.0
ND E:HEM501 2.1 37.7 1.0
SG E:CYS357 2.4 37.9 1.0
C4 F:KH4101 2.9 38.9 1.0
C4A E:HEM501 3.1 36.9 1.0
C4C E:HEM501 3.1 37.8 1.0
C1B E:HEM501 3.1 37.4 1.0
C1A E:HEM501 3.1 37.3 1.0
C1C E:HEM501 3.1 37.6 1.0
C4B E:HEM501 3.1 37.6 1.0
C2 F:KH4101 3.1 39.2 1.0
C1D E:HEM501 3.1 37.7 1.0
C4D E:HEM501 3.1 37.3 1.0
CHB E:HEM501 3.4 37.3 1.0
CHC E:HEM501 3.4 37.7 1.0
CHD E:HEM501 3.4 37.6 1.0
CB E:CYS357 3.4 36.9 1.0
CHA E:HEM501 3.4 37.4 1.0
C5 F:KH4101 4.1 40.0 1.0
CA E:CYS357 4.1 36.8 1.0
N4 F:KH4101 4.2 38.9 1.0
C3A E:HEM501 4.3 37.2 1.0
C3C E:HEM501 4.3 38.0 1.0
C2A E:HEM501 4.3 37.3 1.0
C2C E:HEM501 4.3 37.7 1.0
C2B E:HEM501 4.3 37.3 1.0
C3B E:HEM501 4.3 37.6 1.0
C2D E:HEM501 4.4 37.6 1.0
C3D E:HEM501 4.4 37.4 1.0
C E:CYS357 4.8 38.1 1.0
N E:LEU358 4.8 38.7 1.0
N E:GLY359 4.9 41.0 1.0
O E:GLY247 4.9 43.8 1.0

Reference:

K.Haslinger, C.Brieke, S.Uhlmann, L.Sieverling, R.D.Sussmuth, M.J.Cryle. The Structure of A Transient Complex of A Nonribosomal Peptide Synthetase and A Cytochrome P450 Monooxygenase. Angew.Chem.Int.Ed.Engl. V. 53 8518 2014.
ISSN: ISSN 1433-7851
PubMed: 25044735
DOI: 10.1002/ANIE.201404977
Page generated: Mon Aug 5 08:31:56 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy