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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

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