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Iron in PDB 3dcp: Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.

Enzymatic activity of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.

All present enzymatic activity of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.:
3.1.3.15;

Protein crystallography data

The structure of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141., PDB code: 3dcp was solved by S.M.Vorobiev, M.Su, J.Seetharaman, L.Zhao, L.Mao, E.L.Foote, R.Xiao, R.Nair, M.C.Baran, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeaststructural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.56 / 2.10
Space group P 64
Cell size a, b, c (Å), α, β, γ (°) 191.278, 191.278, 48.051, 90.00, 90.00, 120.00
R / Rfree (%) 19.3 / 21.2

Other elements in 3dcp:

The structure of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. also contains other interesting chemical elements:

Zinc (Zn) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. (pdb code 3dcp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141., PDB code: 3dcp:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 3dcp

Go back to Iron Binding Sites List in 3dcp
Iron binding site 1 out of 6 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.


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 the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe310

b:23.6
occ:1.00
 NE2 A:HIS123 2.2 16.1 1.0
OE2 A:GLU93 2.3 19.5 1.0
NE2 A:HIS181 2.3 15.8 1.0
O A:HOH816 2.4 43.3 1.0
CE1 A:HIS123 3.0 15.6 1.0
CD A:GLU93 3.1 18.0 1.0
CD2 A:HIS181 3.2 16.7 1.0
CD2 A:HIS123 3.3 15.1 1.0
OE1 A:GLU93 3.3 11.2 1.0
CE1 A:HIS181 3.4 14.9 1.0
O A:HOH405 3.4 25.1 1.0
FE A:FE311 3.5 22.4 1.0
ND1 A:HIS123 4.1 15.4 1.0
OG A:SER121 4.2 19.0 1.0
CB A:SER121 4.3 16.8 1.0
CE1 A:HIS40 4.3 26.4 1.0
OD2 A:ASP258 4.3 19.1 1.0
CG A:HIS123 4.3 16.5 1.0
CG A:HIS181 4.4 18.5 1.0
CG A:GLU93 4.4 16.9 1.0
ND1 A:HIS181 4.4 13.3 1.0
CE1 A:HIS6 4.5 18.2 1.0
NE2 A:HIS6 4.6 17.9 1.0
OD2 A:ASP135 4.8 27.6 1.0

Iron binding site 2 out of 6 in 3dcp

Go back to Iron Binding Sites List in 3dcp
Iron binding site 2 out of 6 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.


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 the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe311

b:22.4
occ:1.00
 NE2 A:HIS6 2.2 17.9 1.0
OE1 A:GLU93 2.3 11.2 1.0
NE2 A:HIS8 2.3 22.2 1.0
OD1 A:ASP258 2.4 15.6 1.0
CD A:GLU93 3.1 18.0 1.0
CE1 A:HIS6 3.1 18.2 1.0
CG A:ASP258 3.2 19.9 1.0
CD2 A:HIS6 3.2 16.3 1.0
CE1 A:HIS8 3.2 20.9 1.0
CD2 A:HIS8 3.2 23.1 1.0
OE2 A:GLU93 3.3 19.5 1.0
OD2 A:ASP258 3.3 19.1 1.0
O A:HOH405 3.3 25.1 1.0
FE A:FE310 3.5 23.6 1.0
NE2 A:HIS40 4.1 24.8 1.0
CE1 A:HIS40 4.1 26.4 1.0
ND1 A:HIS6 4.2 18.3 1.0
CG A:HIS6 4.3 18.5 1.0
CE1 A:HIS260 4.3 28.9 1.0
ND1 A:HIS8 4.3 21.5 1.0
CG A:HIS8 4.4 22.6 1.0
CG A:GLU93 4.4 16.9 1.0
NE2 A:HIS260 4.5 29.1 1.0
ZN A:ZN301 4.5 39.4 1.0
CB A:ASP258 4.5 18.6 1.0
CB A:GLU93 4.7 16.9 1.0
CA A:ASP258 4.8 19.3 1.0

Iron binding site 3 out of 6 in 3dcp

Go back to Iron Binding Sites List in 3dcp
Iron binding site 3 out of 6 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.


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 the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe320

b:23.4
occ:1.00
 NE2 B:HIS8 2.2 23.3 1.0
NE2 B:HIS6 2.3 18.9 1.0
OE1 B:GLU93 2.3 17.2 1.0
OD1 B:ASP258 2.4 21.6 1.0
CE1 B:HIS8 3.1 20.8 1.0
CD B:GLU93 3.1 20.2 1.0
CE1 B:HIS6 3.2 19.9 1.0
CD2 B:HIS8 3.2 22.5 1.0
CG B:ASP258 3.2 21.5 1.0
O B:HOH404 3.2 25.5 1.0
CD2 B:HIS6 3.2 18.2 1.0
OD2 B:ASP258 3.4 23.4 1.0
OE2 B:GLU93 3.5 23.6 1.0
FE B:FE321 3.5 27.1 1.0
CE1 B:HIS40 4.0 25.5 1.0
CE1 B:HIS260 4.2 28.9 1.0
ND1 B:HIS8 4.2 23.0 1.0
ND1 B:HIS6 4.3 19.0 1.0
NE2 B:HIS40 4.3 26.5 1.0
CG B:HIS8 4.3 22.5 1.0
CG B:GLU93 4.3 19.6 1.0
CG B:HIS6 4.4 19.6 1.0
ZN B:ZN302 4.4 40.0 1.0
NE2 B:HIS260 4.5 28.4 1.0
CB B:ASP258 4.5 20.7 1.0
CB B:GLU93 4.7 20.2 1.0
CA B:ASP258 4.8 20.8 1.0
ND1 B:HIS40 5.0 26.3 1.0

Iron binding site 4 out of 6 in 3dcp

Go back to Iron Binding Sites List in 3dcp
Iron binding site 4 out of 6 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.


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 the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe321

b:27.1
occ:1.00
 OE2 B:GLU93 2.1 23.6 1.0
NE2 B:HIS123 2.2 21.8 1.0
NE2 B:HIS181 2.3 22.3 1.0
CE1 B:HIS123 3.0 22.9 1.0
CD B:GLU93 3.1 20.2 1.0
CD2 B:HIS181 3.3 23.9 1.0
CE1 B:HIS181 3.3 23.5 1.0
CD2 B:HIS123 3.3 22.2 1.0
O B:HOH404 3.3 25.5 1.0
OE1 B:GLU93 3.3 17.2 1.0
FE B:FE320 3.5 23.4 1.0
OG B:SER121 4.1 20.8 1.0
ND1 B:HIS123 4.2 23.8 1.0
CB B:SER121 4.2 20.3 1.0
CE1 B:HIS40 4.3 25.5 1.0
CG B:HIS123 4.3 23.5 1.0
OD2 B:ASP258 4.4 23.4 1.0
ND1 B:HIS181 4.4 22.0 1.0
CG B:HIS181 4.4 23.8 1.0
CG B:GLU93 4.4 19.6 1.0
O B:HOH460 4.5 33.6 1.0
CE1 B:HIS6 4.5 19.9 1.0
NE2 B:HIS6 4.6 18.9 1.0
OD2 B:ASP135 5.0 37.3 1.0
OD1 B:ASP258 5.0 21.6 1.0

Iron binding site 5 out of 6 in 3dcp

Go back to Iron Binding Sites List in 3dcp
Iron binding site 5 out of 6 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe330

b:22.3
occ:1.00
 OE2 C:GLU93 2.1 18.9 1.0
NE2 C:HIS123 2.2 17.7 1.0
NE2 C:HIS181 2.3 17.6 1.0
CD C:GLU93 3.0 17.4 1.0
CE1 C:HIS123 3.1 17.6 1.0
CD2 C:HIS181 3.2 17.2 1.0
CD2 C:HIS123 3.2 18.1 1.0
O C:HOH403 3.3 22.9 1.0
CE1 C:HIS181 3.3 18.3 1.0
OE1 C:GLU93 3.3 16.3 1.0
FE C:FE331 3.5 22.2 1.0
CE1 C:HIS40 4.1 22.7 1.0
ND1 C:HIS123 4.2 19.6 1.0
OG C:SER121 4.2 19.2 1.0
CB C:SER121 4.3 16.3 1.0
CG C:HIS123 4.3 20.4 1.0
O C:HOH516 4.3 34.1 1.0
CG C:GLU93 4.4 18.0 1.0
OD2 C:ASP258 4.4 21.4 1.0
CG C:HIS181 4.4 18.8 1.0
ND1 C:HIS181 4.4 13.9 1.0
CE1 C:HIS6 4.5 14.9 1.0
NE2 C:HIS6 4.6 20.2 1.0
NE2 C:HIS40 4.9 22.6 1.0
OD2 C:ASP135 5.0 29.7 1.0

Iron binding site 6 out of 6 in 3dcp

Go back to Iron Binding Sites List in 3dcp
Iron binding site 6 out of 6 in the Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. Northeast Structural Genomics Consortium Target LMR141. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe331

b:22.2
occ:1.00
 NE2 C:HIS8 2.2 20.3 1.0
NE2 C:HIS6 2.3 20.2 1.0
OE1 C:GLU93 2.3 16.3 1.0
OD1 C:ASP258 2.3 19.1 1.0
CD C:GLU93 3.1 17.4 1.0
CD2 C:HIS8 3.1 19.5 1.0
CE1 C:HIS6 3.1 14.9 1.0
CG C:ASP258 3.2 20.1 1.0
CD2 C:HIS6 3.2 16.1 1.0
CE1 C:HIS8 3.2 19.6 1.0
OD2 C:ASP258 3.3 21.4 1.0
O C:HOH403 3.4 22.9 1.0
OE2 C:GLU93 3.4 18.9 1.0
FE C:FE330 3.5 22.3 1.0
CE1 C:HIS40 4.0 22.7 1.0
NE2 C:HIS40 4.2 22.6 1.0
ND1 C:HIS6 4.2 17.5 1.0
CE1 C:HIS260 4.2 24.4 1.0
CG C:HIS8 4.3 19.4 1.0
ND1 C:HIS8 4.3 19.5 1.0
CG C:HIS6 4.3 16.8 1.0
CG C:GLU93 4.4 18.0 1.0
ZN C:ZN303 4.4 38.5 1.0
NE2 C:HIS260 4.5 23.4 1.0
CB C:ASP258 4.5 19.1 1.0
CB C:GLU93 4.7 16.8 1.0
CA C:ASP258 4.8 19.3 1.0
ND1 C:HIS40 5.0 22.4 1.0

Reference:

S.M.Vorobiev, M.Su, J.Seetharaman, L.Zhao, L.Mao, E.L.Foote, R.Xiao, R.Nair, M.C.Baran, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong. Crystal Structure of the Putative Histidinol Phosphatase Hisk From Listeria Monocytogenes. To Be Published.
Page generated: Sun Aug 4 09:05:37 2024

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