Atomistry » Iron » PDB 4l0d-4lji » 4l27
Atomistry »
  Iron »
    PDB 4l0d-4lji »
      4l27 »

Iron in PDB 4l27: Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag

Enzymatic activity of Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag

All present enzymatic activity of Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag:
4.2.1.22;

Protein crystallography data

The structure of Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag, PDB code: 4l27 was solved by J.Ereno, T.Majtan, I.Oyenarte, J.P.Kraus, L.A.Martinez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.62 / 3.39
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 190.454, 190.454, 140.847, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 24.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag (pdb code 4l27). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag, PDB code: 4l27:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4l27

Go back to Iron Binding Sites List in 4l27
Iron binding site 1 out of 4 in the Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag


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 DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe602

b:0.7
occ:1.00
 FE B:HEM602 0.0 0.7 1.0
NC B:HEM602 2.0 0.6 1.0
NB B:HEM602 2.0 0.8 1.0
NA B:HEM602 2.1 0.8 1.0
ND B:HEM602 2.1 0.7 1.0
SG B:CYS52 2.4 94.1 1.0
NE2 B:HIS65 2.5 0.6 1.0
C1A B:HEM602 3.0 0.8 1.0
C1C B:HEM602 3.0 0.6 1.0
C4B B:HEM602 3.0 0.8 1.0
C4D B:HEM602 3.0 0.7 1.0
C4C B:HEM602 3.1 0.5 1.0
C1B B:HEM602 3.1 0.8 1.0
C4A B:HEM602 3.1 0.8 1.0
C1D B:HEM602 3.1 0.6 1.0
CD2 B:HIS65 3.3 0.4 1.0
CHA B:HEM602 3.3 0.8 1.0
CHC B:HEM602 3.4 0.7 1.0
CHD B:HEM602 3.5 0.6 1.0
CHB B:HEM602 3.5 0.8 1.0
CB B:CYS52 3.5 0.2 1.0
CE1 B:HIS65 3.6 0.1 1.0
CA B:CYS52 4.1 0.6 1.0
C2A B:HEM602 4.2 0.9 1.0
C2C B:HEM602 4.2 0.5 1.0
C3C B:HEM602 4.3 0.5 1.0
C3A B:HEM602 4.3 0.9 1.0
C3B B:HEM602 4.3 0.8 1.0
C2B B:HEM602 4.3 0.9 1.0
C3D B:HEM602 4.3 0.7 1.0
C2D B:HEM602 4.3 0.6 1.0
CG B:HIS65 4.5 0.8 1.0
ND1 B:HIS65 4.7 0.1 1.0
NH1 B:ARG266 4.7 87.7 1.0
N B:THR53 4.8 79.3 1.0
CB B:TRP54 4.9 89.9 1.0
C B:CYS52 4.9 0.3 1.0

Iron binding site 2 out of 4 in 4l27

Go back to Iron Binding Sites List in 4l27
Iron binding site 2 out of 4 in the Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag


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 DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe602

b:79.8
occ:1.00
 FE D:HEM602 0.0 79.8 1.0
NC D:HEM602 2.0 79.6 1.0
NB D:HEM602 2.0 80.0 1.0
NA D:HEM602 2.1 79.8 1.0
ND D:HEM602 2.1 79.6 1.0
SG D:CYS52 2.3 60.5 1.0
NE2 D:HIS65 2.5 81.5 1.0
C1C D:HEM602 3.0 79.5 1.0
C4B D:HEM602 3.0 80.0 1.0
C1B D:HEM602 3.0 80.1 1.0
C4C D:HEM602 3.1 79.4 1.0
C4A D:HEM602 3.1 79.8 1.0
C4D D:HEM602 3.1 79.5 1.0
C1A D:HEM602 3.1 79.7 1.0
C1D D:HEM602 3.1 79.5 1.0
CD2 D:HIS65 3.3 86.2 1.0
CHC D:HEM602 3.4 79.8 1.0
CHA D:HEM602 3.4 79.6 1.0
CHB D:HEM602 3.4 80.1 1.0
CHD D:HEM602 3.5 79.4 1.0
CE1 D:HIS65 3.5 91.6 1.0
CB D:CYS52 3.5 76.6 1.0
C2C D:HEM602 4.3 79.4 1.0
C2B D:HEM602 4.3 80.3 1.0
C3B D:HEM602 4.3 80.2 1.0
C3C D:HEM602 4.3 79.3 1.0
CA D:CYS52 4.3 76.9 1.0
C3A D:HEM602 4.3 79.8 1.0
NH1 D:ARG266 4.3 81.2 1.0
C2A D:HEM602 4.3 79.8 1.0
C2D D:HEM602 4.3 79.4 1.0
C3D D:HEM602 4.3 79.4 1.0
CG D:HIS65 4.5 98.6 1.0
ND1 D:HIS65 4.6 98.2 1.0
CB D:TRP54 4.8 83.8 1.0
N D:THR53 4.9 96.2 1.0

Iron binding site 3 out of 4 in 4l27

Go back to Iron Binding Sites List in 4l27
Iron binding site 3 out of 4 in the Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag


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 DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe602

b:0.5
occ:1.00
 FE A:HEM602 0.0 0.5 1.0
NC A:HEM602 2.0 0.4 1.0
NB A:HEM602 2.0 0.6 1.0
ND A:HEM602 2.1 0.5 1.0
NA A:HEM602 2.1 0.6 1.0
SG A:CYS52 2.4 84.2 1.0
NE2 A:HIS65 2.4 55.4 1.0
C4D A:HEM602 3.0 0.5 1.0
C4B A:HEM602 3.0 0.5 1.0
C1A A:HEM602 3.0 0.6 1.0
C1C A:HEM602 3.0 0.3 1.0
C4C A:HEM602 3.1 0.3 1.0
C1B A:HEM602 3.1 0.6 1.0
C4A A:HEM602 3.1 0.6 1.0
C1D A:HEM602 3.1 0.4 1.0
CD2 A:HIS65 3.2 62.4 1.0
CHA A:HEM602 3.3 0.5 1.0
CE1 A:HIS65 3.4 76.7 1.0
CHC A:HEM602 3.4 0.4 1.0
CHD A:HEM602 3.4 0.3 1.0
CHB A:HEM602 3.5 0.6 1.0
CB A:CYS52 3.5 79.0 1.0
CA A:CYS52 3.9 79.8 1.0
C3A A:HEM602 4.2 0.6 1.0
C2A A:HEM602 4.2 0.7 1.0
C3B A:HEM602 4.3 0.6 1.0
C2C A:HEM602 4.3 0.2 1.0
C3C A:HEM602 4.3 0.2 1.0
C2B A:HEM602 4.3 0.6 1.0
C3D A:HEM602 4.3 0.4 1.0
C2D A:HEM602 4.3 0.4 1.0
CG A:HIS65 4.4 81.3 1.0
ND1 A:HIS65 4.4 0.4 1.0
NH1 A:ARG266 4.6 92.4 1.0
N A:THR53 4.9 1.0 1.0
C A:CYS52 4.9 83.0 1.0
CB A:TRP54 4.9 94.3 1.0

Iron binding site 4 out of 4 in 4l27

Go back to Iron Binding Sites List in 4l27
Iron binding site 4 out of 4 in the Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of DELTA1-39 and DELTA516-525 Human Cystathionine Beta-Synthase D444N Mutant Containing C-Terminal 6XHIS Tag within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe602

b:79.6
occ:1.00
 FE C:HEM602 0.0 79.6 1.0
NC C:HEM602 2.0 79.5 1.0
ND C:HEM602 2.1 79.5 1.0
NA C:HEM602 2.1 79.7 1.0
NB C:HEM602 2.1 79.9 1.0
NE2 C:HIS65 2.4 42.6 1.0
SG C:CYS52 2.5 88.7 1.0
C1C C:HEM602 3.0 79.4 1.0
C4C C:HEM602 3.0 79.3 1.0
C4A C:HEM602 3.0 79.7 1.0
C4D C:HEM602 3.1 79.4 1.0
C1D C:HEM602 3.1 79.3 1.0
C1B C:HEM602 3.1 80.0 1.0
C4B C:HEM602 3.1 79.9 1.0
C1A C:HEM602 3.1 79.6 1.0
CD2 C:HIS65 3.2 59.8 1.0
CHA C:HEM602 3.4 79.5 1.0
CHD C:HEM602 3.4 79.3 1.0
CHC C:HEM602 3.4 79.6 1.0
CHB C:HEM602 3.4 80.0 1.0
CE1 C:HIS65 3.5 58.0 1.0
CB C:CYS52 3.6 99.9 1.0
CA C:CYS52 4.1 99.9 1.0
C2C C:HEM602 4.2 79.2 1.0
C3C C:HEM602 4.2 79.2 1.0
C3A C:HEM602 4.3 79.6 1.0
C2B C:HEM602 4.3 80.2 1.0
C2D C:HEM602 4.3 79.3 1.0
C3B C:HEM602 4.3 80.1 1.0
C3D C:HEM602 4.3 79.3 1.0
C2A C:HEM602 4.3 79.7 1.0
CG C:HIS65 4.4 72.6 1.0
NH1 C:ARG266 4.5 76.4 1.0
ND1 C:HIS65 4.6 64.7 1.0
N C:THR53 4.8 60.7 1.0
C C:CYS52 5.0 1.0 1.0
CB C:TRP54 5.0 75.8 1.0

Reference:

J.Ereno-Orbea, T.Majtan, I.Oyenarte, J.P.Kraus, L.A.Martinez-Cruz. Structural Basis of Regulation and Oligomerization of Human Cystathionine Beta-Synthase, the Central Enzyme of Transsulfuration. Proc.Natl.Acad.Sci.Usa V. 110 E3790 2013.
ISSN: ISSN 0027-8424
PubMed: 24043838
DOI: 10.1073/PNAS.1313683110
Page generated: Mon Aug 5 06:01:25 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