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: Wed Aug 6 08:38:26 2025

Last articles

Zn in 9UUO
Zn in 9UUS
Zn in 9W4R
Zn in 9VKW
Zn in 9W4S
Zn in 9VH1
Zn in 9RMX
Zn in 9RMU
Zn in 9QWN
Zn in 9U9Y
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy