Atomistry » Iron » PDB 6j63-6jst » 6jlv
Atomistry »
  Iron »
    PDB 6j63-6jst »
      6jlv »

Iron in PDB 6jlv: Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan

Enzymatic activity of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan

All present enzymatic activity of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan, PDB code: 6jlv was solved by J.K.Stanfield, C.Kasai, H.Sugimoto, Y.Shiro, Y.Watanabe, O.Shoji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.22 / 1.22
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.964, 148.732, 63.910, 90.00, 98.38, 90.00
R / Rfree (%) 13.4 / 15.6

Other elements in 6jlv:

The structure of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan (pdb code 6jlv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan, PDB code: 6jlv:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 6jlv

Go back to Iron Binding Sites List in 6jlv
Iron binding site 1 out of 4 in the Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:11.3
occ:0.47
FE A:HEM501 0.0 11.3 0.5
FE A:HEM501 0.0 12.1 0.5
ND A:HEM501 1.9 11.1 0.5
ND A:HEM501 2.0 11.1 0.5
NA A:HEM501 2.0 11.4 0.5
NA A:HEM501 2.1 10.3 0.5
NB A:HEM501 2.1 11.8 0.5
NC A:HEM501 2.1 11.3 0.5
NC A:HEM501 2.1 11.1 0.5
NB A:HEM501 2.1 11.0 0.5
O A:HOH684 2.2 18.8 1.0
SG A:CYS400 2.3 12.4 1.0
C1D A:HEM501 2.9 11.7 0.5
C4D A:HEM501 3.0 10.9 0.5
C1D A:HEM501 3.0 11.2 0.5
C4B A:HEM501 3.0 12.3 0.5
C4D A:HEM501 3.0 11.1 0.5
C4C A:HEM501 3.0 11.3 0.5
C1B A:HEM501 3.0 11.8 0.5
C4B A:HEM501 3.0 10.9 0.5
C4C A:HEM501 3.0 12.0 0.5
C1A A:HEM501 3.1 10.9 0.5
C1B A:HEM501 3.1 11.1 0.5
C4A A:HEM501 3.1 11.7 0.5
C1A A:HEM501 3.1 10.4 0.5
C1C A:HEM501 3.1 11.4 0.5
C1C A:HEM501 3.1 11.5 0.5
C4A A:HEM501 3.1 10.2 0.5
CB A:CYS400 3.3 11.4 1.0
CHD A:HEM501 3.4 11.4 0.5
CHD A:HEM501 3.4 11.4 0.5
CHB A:HEM501 3.4 11.8 0.5
CHA A:HEM501 3.4 10.4 0.5
CHC A:HEM501 3.4 11.8 0.5
CHA A:HEM501 3.5 10.8 0.5
CHC A:HEM501 3.5 11.1 0.5
CHB A:HEM501 3.5 10.4 0.5
CA A:CYS400 4.0 10.8 1.0
O A:ALA264 4.2 17.5 1.0
C2D A:HEM501 4.2 11.3 0.5
C3D A:HEM501 4.2 11.4 0.5
C3C A:HEM501 4.3 11.5 0.5
C2C A:HEM501 4.3 11.2 0.5
C3C A:HEM501 4.3 12.2 0.5
C2B A:HEM501 4.3 12.1 0.5
C2C A:HEM501 4.3 12.0 0.5
C2A A:HEM501 4.3 10.7 0.5
C3A A:HEM501 4.3 11.5 0.5
C2D A:HEM501 4.3 11.4 0.5
C3B A:HEM501 4.3 12.5 0.5
C3A A:HEM501 4.3 10.5 0.5
C2B A:HEM501 4.3 10.9 0.5
C2A A:HEM501 4.3 10.3 0.5
C3D A:HEM501 4.3 11.0 0.5
C3B A:HEM501 4.3 11.0 0.5
CB A:ALA264 4.5 18.8 1.0
N A:GLY402 4.7 11.3 1.0
C A:CYS400 4.8 10.7 1.0
C A:ALA264 4.8 17.2 1.0
N A:ILE401 4.9 10.8 1.0

Iron binding site 2 out of 4 in 6jlv

Go back to Iron Binding Sites List in 6jlv
Iron binding site 2 out of 4 in the Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:12.1
occ:0.53
FE A:HEM501 0.0 12.1 0.5
FE A:HEM501 0.0 11.3 0.5
ND A:HEM501 1.9 11.1 0.5
ND A:HEM501 2.0 11.1 0.5
NA A:HEM501 2.0 10.3 0.5
NA A:HEM501 2.0 11.4 0.5
NC A:HEM501 2.0 11.3 0.5
NB A:HEM501 2.1 11.0 0.5
NB A:HEM501 2.1 11.8 0.5
NC A:HEM501 2.1 11.1 0.5
O A:HOH684 2.2 18.8 1.0
SG A:CYS400 2.3 12.4 1.0
C1D A:HEM501 3.0 11.2 0.5
C1D A:HEM501 3.0 11.7 0.5
C4D A:HEM501 3.0 10.9 0.5
C4D A:HEM501 3.0 11.1 0.5
C4C A:HEM501 3.0 12.0 0.5
C4B A:HEM501 3.0 10.9 0.5
C4B A:HEM501 3.0 12.3 0.5
C1B A:HEM501 3.1 11.1 0.5
C1A A:HEM501 3.1 10.4 0.5
C4C A:HEM501 3.1 11.3 0.5
C4A A:HEM501 3.1 10.2 0.5
C1A A:HEM501 3.1 10.9 0.5
C1B A:HEM501 3.1 11.8 0.5
C1C A:HEM501 3.1 11.5 0.5
C4A A:HEM501 3.1 11.7 0.5
C1C A:HEM501 3.1 11.4 0.5
CB A:CYS400 3.3 11.4 1.0
CHD A:HEM501 3.4 11.4 0.5
CHD A:HEM501 3.4 11.4 0.5
CHA A:HEM501 3.4 10.4 0.5
CHA A:HEM501 3.4 10.8 0.5
CHB A:HEM501 3.4 10.4 0.5
CHC A:HEM501 3.5 11.8 0.5
CHB A:HEM501 3.5 11.8 0.5
CHC A:HEM501 3.5 11.1 0.5
CA A:CYS400 4.0 10.8 1.0
O A:ALA264 4.2 17.5 1.0
C3C A:HEM501 4.2 12.2 0.5
C2D A:HEM501 4.2 11.3 0.5
C3D A:HEM501 4.3 11.4 0.5
C2D A:HEM501 4.3 11.4 0.5
C3A A:HEM501 4.3 10.5 0.5
C2C A:HEM501 4.3 12.0 0.5
C2A A:HEM501 4.3 10.3 0.5
C2B A:HEM501 4.3 10.9 0.5
C3D A:HEM501 4.3 11.0 0.5
C2C A:HEM501 4.3 11.2 0.5
C3C A:HEM501 4.3 11.5 0.5
C2A A:HEM501 4.3 10.7 0.5
C3A A:HEM501 4.3 11.5 0.5
C3B A:HEM501 4.3 11.0 0.5
C2B A:HEM501 4.3 12.1 0.5
C3B A:HEM501 4.3 12.5 0.5
CB A:ALA264 4.5 18.8 1.0
N A:GLY402 4.8 11.3 1.0
C A:CYS400 4.8 10.7 1.0
C A:ALA264 4.8 17.2 1.0
N A:ILE401 4.9 10.8 1.0

Iron binding site 3 out of 4 in 6jlv

Go back to Iron Binding Sites List in 6jlv
Iron binding site 3 out of 4 in the Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:11.4
occ:0.41
FE B:HEM501 0.0 11.4 0.4
FE B:HEM501 0.0 11.5 0.6
ND B:HEM501 1.9 10.7 0.4
ND B:HEM501 1.9 10.8 0.6
NA B:HEM501 2.0 10.3 0.6
NA B:HEM501 2.0 10.8 0.4
NC B:HEM501 2.0 10.4 0.4
NB B:HEM501 2.0 11.2 0.6
NB B:HEM501 2.1 10.8 0.4
NC B:HEM501 2.1 11.2 0.6
O B:HOH624 2.2 19.2 1.0
SG B:CYS400 2.3 12.2 1.0
C1D B:HEM501 2.9 10.7 0.4
C4D B:HEM501 3.0 10.5 0.4
C4D B:HEM501 3.0 11.0 0.6
C1D B:HEM501 3.0 10.8 0.6
C4C B:HEM501 3.0 10.7 0.4
C4B B:HEM501 3.0 11.5 0.6
C4B B:HEM501 3.0 11.0 0.4
C1B B:HEM501 3.0 11.0 0.6
C1A B:HEM501 3.0 10.9 0.4
C4A B:HEM501 3.1 10.4 0.6
C1A B:HEM501 3.1 9.9 0.6
C1B B:HEM501 3.1 11.1 0.4
C4C B:HEM501 3.1 11.8 0.6
C4A B:HEM501 3.1 11.1 0.4
C1C B:HEM501 3.1 10.6 0.4
C1C B:HEM501 3.1 11.8 0.6
CB B:CYS400 3.3 10.8 1.0
CHD B:HEM501 3.4 10.8 0.4
CHA B:HEM501 3.4 10.7 0.4
CHB B:HEM501 3.4 10.8 0.6
CHA B:HEM501 3.4 10.6 0.6
CHD B:HEM501 3.4 11.7 0.6
CHC B:HEM501 3.4 11.8 0.6
CHC B:HEM501 3.5 11.0 0.4
CHB B:HEM501 3.5 11.2 0.4
CA B:CYS400 4.0 10.8 1.0
O B:ALA264 4.2 18.6 1.0
C2D B:HEM501 4.2 10.8 0.4
C3D B:HEM501 4.2 10.9 0.4
C3C B:HEM501 4.2 11.2 0.4
C2C B:HEM501 4.2 10.8 0.4
C2A B:HEM501 4.3 10.9 0.4
C2A B:HEM501 4.3 10.5 0.6
C3D B:HEM501 4.3 11.0 0.6
C3A B:HEM501 4.3 10.4 0.6
C3A B:HEM501 4.3 11.5 0.4
C2B B:HEM501 4.3 11.5 0.6
C2D B:HEM501 4.3 10.5 0.6
C2C B:HEM501 4.3 12.2 0.6
C3B B:HEM501 4.3 11.9 0.6
C2B B:HEM501 4.3 11.2 0.4
C3C B:HEM501 4.3 12.3 0.6
C3B B:HEM501 4.3 11.4 0.4
CB B:ALA264 4.5 19.6 1.0
C B:CYS400 4.8 11.3 1.0
C B:ALA264 4.8 17.8 1.0
N B:GLY402 4.8 11.5 1.0
N B:ILE401 5.0 11.4 1.0

Iron binding site 4 out of 4 in 6jlv

Go back to Iron Binding Sites List in 6jlv
Iron binding site 4 out of 4 in the Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N- Abietoyl-L-Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:11.5
occ:0.59
FE B:HEM501 0.0 11.5 0.6
FE B:HEM501 0.0 11.4 0.4
ND B:HEM501 1.9 10.8 0.6
ND B:HEM501 2.0 10.7 0.4
NA B:HEM501 2.0 10.8 0.4
NB B:HEM501 2.0 10.8 0.4
NA B:HEM501 2.1 10.3 0.6
NC B:HEM501 2.1 10.4 0.4
NC B:HEM501 2.1 11.2 0.6
NB B:HEM501 2.1 11.2 0.6
O B:HOH624 2.2 19.2 1.0
SG B:CYS400 2.3 12.2 1.0
C1D B:HEM501 3.0 10.8 0.6
C1D B:HEM501 3.0 10.7 0.4
C4D B:HEM501 3.0 11.0 0.6
C4B B:HEM501 3.0 11.0 0.4
C4D B:HEM501 3.0 10.5 0.4
C1B B:HEM501 3.0 11.1 0.4
C4B B:HEM501 3.0 11.5 0.6
C4C B:HEM501 3.0 11.8 0.6
C4C B:HEM501 3.0 10.7 0.4
C1A B:HEM501 3.0 10.9 0.4
C4A B:HEM501 3.1 11.1 0.4
C1C B:HEM501 3.1 11.8 0.6
C1B B:HEM501 3.1 11.0 0.6
C1C B:HEM501 3.1 10.6 0.4
C1A B:HEM501 3.1 9.9 0.6
C4A B:HEM501 3.1 10.4 0.6
CB B:CYS400 3.3 10.8 1.0
CHD B:HEM501 3.4 11.7 0.6
CHD B:HEM501 3.4 10.8 0.4
CHC B:HEM501 3.4 11.8 0.6
CHA B:HEM501 3.4 10.7 0.4
CHC B:HEM501 3.4 11.0 0.4
CHB B:HEM501 3.5 11.2 0.4
CHA B:HEM501 3.5 10.6 0.6
CHB B:HEM501 3.5 10.8 0.6
CA B:CYS400 4.0 10.8 1.0
O B:ALA264 4.1 18.6 1.0
C2A B:HEM501 4.2 10.9 0.4
C2B B:HEM501 4.2 11.2 0.4
C2C B:HEM501 4.2 12.2 0.6
C3A B:HEM501 4.2 11.5 0.4
C3C B:HEM501 4.2 12.3 0.6
C3C B:HEM501 4.3 11.2 0.4
C3D B:HEM501 4.3 11.0 0.6
C2C B:HEM501 4.3 10.8 0.4
C2D B:HEM501 4.3 10.8 0.4
C2D B:HEM501 4.3 10.5 0.6
C3B B:HEM501 4.3 11.4 0.4
C3D B:HEM501 4.3 10.9 0.4
C2B B:HEM501 4.3 11.5 0.6
C3B B:HEM501 4.3 11.9 0.6
C2A B:HEM501 4.3 10.5 0.6
C3A B:HEM501 4.3 10.4 0.6
CB B:ALA264 4.5 19.6 1.0
C B:ALA264 4.8 17.8 1.0
N B:GLY402 4.8 11.5 1.0
C B:CYS400 4.8 11.3 1.0
N B:ILE401 5.0 11.4 1.0

Reference:

O.Shoji, J.K.Stanfield. Structure of CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan at 1.22 Angstrom Resolution To Be Published.
Page generated: Tue Aug 6 23:23:52 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy