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Cadmium in PDB 1mox: Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha

Enzymatic activity of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha

All present enzymatic activity of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha:
2.7.1.112;

Protein crystallography data

The structure of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha, PDB code: 1mox was solved by T.P.J.Garrett, N.M.Mckern, M.Lou, T.C.Elleman, T.E.Adams, G.O.Lovrecz, H.-J.Zhu, F.Walker, M.J.Frenkel, P.A.Hoyne, R.N.Jorissen, E.C.Nice, A.W.Burgess, C.W.Ward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.590, 198.710, 78.900, 90.00, 102.03, 90.00
R / Rfree (%) 23.7 / 28.9

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha (pdb code 1mox). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 11 binding sites of Cadmium where determined in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha, PDB code: 1mox:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; 11;

Cadmium binding site 1 out of 11 in 1mox

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Cadmium binding site 1 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd721

b:46.6
occ:1.00
OD1 A:ASP498 2.3 36.5 1.0
CL A:CL736 2.4 47.5 1.0
OE2 A:GLU495 2.6 47.6 1.0
OD2 A:ASP498 2.7 38.9 1.0
CG A:ASP498 2.8 40.8 1.0
CD A:GLU495 3.5 44.1 1.0
OD1 A:ASP392 3.7 48.7 1.0
NH2 A:ARG427 3.8 47.9 1.0
CD A:CD722 3.9 71.1 1.0
CG A:GLU495 4.0 42.5 1.0
CB A:GLU495 4.0 42.2 1.0
CB A:ASP498 4.3 47.0 1.0
CD A:CD730 4.3 54.0 1.0
OE1 A:GLU495 4.4 41.9 1.0
CZ A:ARG427 4.6 46.5 1.0
NE A:ARG427 4.6 43.5 1.0
CD A:PRO494 4.6 42.3 1.0
CA A:GLY493 4.6 42.6 1.0
OG A:SER423 4.7 36.7 1.0
N A:GLU495 4.8 44.6 1.0
CG A:ASP392 4.8 46.4 1.0

Cadmium binding site 2 out of 11 in 1mox

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Cadmium binding site 2 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd722

b:71.1
occ:1.00
OD1 A:ASP392 2.5 48.7 1.0
ND1 A:HIS394 2.8 42.8 1.0
OD2 A:ASP392 3.0 46.6 1.0
CG A:ASP392 3.1 46.4 1.0
OE1 A:GLU397 3.6 41.7 1.0
CG A:HIS394 3.7 42.7 1.0
CB A:HIS394 3.7 40.5 1.0
CE1 A:HIS394 3.8 41.7 1.0
CA A:HIS394 3.9 39.3 1.0
CD A:CD721 3.9 46.6 1.0
N A:HIS394 4.4 39.7 1.0
CA A:GLY425 4.6 33.0 1.0
CB A:ASP392 4.6 42.8 1.0
CD A:GLU397 4.8 42.5 1.0
CD2 A:HIS394 4.9 43.5 1.0
O A:GLY425 4.9 34.6 1.0
NE2 A:HIS394 4.9 42.0 1.0
CL A:CL736 4.9 47.5 1.0
CD A:CD730 5.0 54.0 1.0

Cadmium binding site 3 out of 11 in 1mox

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Cadmium binding site 3 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd730

b:54.0
occ:1.00
OE1 A:GLU495 1.9 41.9 1.0
CD A:GLU495 2.6 44.1 1.0
OE2 A:GLU495 2.6 47.6 1.0
CG A:GLU495 4.1 42.5 1.0
NH2 A:ARG427 4.1 47.9 1.0
CD A:CD721 4.3 46.6 1.0
CL A:CL736 4.6 47.5 1.0
CD A:CD722 5.0 71.1 1.0
CZ A:ARG427 5.0 46.5 1.0

Cadmium binding site 4 out of 11 in 1mox

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Cadmium binding site 4 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd731

b:0.7
occ:1.00
ND1 A:HIS280 2.9 67.3 1.0
ND1 B:HIS280 3.3 54.2 1.0
CA B:HIS280 3.6 53.3 1.0
CA A:HIS280 3.7 66.5 1.0
CG A:HIS280 3.7 66.6 1.0
CB A:HIS280 3.8 66.6 1.0
CE1 A:HIS280 3.9 67.9 1.0
CB B:HIS280 3.9 52.4 1.0
O B:ASP279 4.0 56.9 1.0
CG B:HIS280 4.0 54.5 1.0
C B:HIS280 4.3 53.1 1.0
CE1 B:HIS280 4.3 55.2 1.0
O B:HIS280 4.4 55.5 1.0
O A:ASP279 4.4 71.0 1.0
N A:HIS280 4.6 68.9 1.0
N B:HIS280 4.6 54.9 1.0
C A:HIS280 4.7 65.1 1.0
C B:ASP279 4.7 56.5 1.0
O A:HIS280 4.8 65.0 1.0
C A:ASP279 4.8 70.6 1.0
O B:HOH794 4.9 49.6 1.0
CD2 A:HIS280 4.9 67.9 1.0
NE2 A:HIS280 5.0 66.9 1.0

Cadmium binding site 5 out of 11 in 1mox

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Cadmium binding site 5 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd723

b:95.0
occ:1.00
NE2 B:HIS359 2.2 70.9 1.0
CE1 B:HIS359 2.7 71.0 1.0
CD2 B:HIS359 3.5 71.7 1.0
ND1 B:HIS359 3.9 71.5 1.0
CG B:HIS359 4.3 72.6 1.0

Cadmium binding site 6 out of 11 in 1mox

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Cadmium binding site 6 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd724

b:76.8
occ:1.00
ND1 B:HIS394 2.3 48.0 1.0
OD1 B:ASP392 2.4 42.7 1.0
OD2 B:ASP392 2.6 49.1 1.0
CG B:ASP392 2.9 47.1 1.0
CE1 B:HIS394 3.1 48.0 1.0
CG B:HIS394 3.3 49.0 1.0
CB B:HIS394 3.7 47.8 1.0
CA B:HIS394 3.9 47.9 1.0
NE2 B:HIS394 4.3 50.6 1.0
CB B:ASP392 4.4 47.0 1.0
CD2 B:HIS394 4.4 48.3 1.0
OE2 B:GLU397 4.5 57.5 1.0
N B:HIS394 4.6 47.4 1.0
NH1 B:ARG427 4.6 54.0 1.0
O B:HOH764 4.9 41.0 1.0

Cadmium binding site 7 out of 11 in 1mox

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Cadmium binding site 7 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd725

b:94.2
occ:1.00
OE2 B:GLU495 2.2 43.7 1.0
OE1 B:GLU495 2.2 45.5 1.0
CD B:GLU495 2.5 44.8 1.0
CG B:GLU495 4.0 43.9 1.0

Cadmium binding site 8 out of 11 in 1mox

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Cadmium binding site 8 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd726

b:0.8
occ:1.00
NE2 B:HIS334 2.6 75.6 1.0
CE1 B:HIS334 3.2 76.0 1.0
CD2 B:HIS334 3.6 74.7 1.0
NZ B:LYS333 3.7 72.0 1.0
CE B:LYS333 3.9 73.0 1.0
ND1 B:HIS334 4.3 75.6 1.0
CG B:HIS334 4.5 74.9 1.0
C8 B:NAG651 4.7 63.4 1.0
CG B:GLU320 4.8 74.9 1.0

Cadmium binding site 9 out of 11 in 1mox

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Cadmium binding site 9 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd727

b:77.5
occ:1.00
CL B:CL738 2.2 68.8 1.0
OE1 B:GLU35 2.4 58.6 1.0
OE2 B:GLU35 2.8 59.2 1.0
CD B:GLU35 2.9 56.3 1.0
O B:GLU3 3.7 82.8 1.0
CG B:GLU35 4.4 52.5 1.0
CA B:LYS4 4.5 72.2 1.0
CG B:LYS4 4.7 73.9 1.0
NE2 B:GLN59 4.8 45.2 1.0
C B:GLU3 4.8 81.6 1.0
N B:LYS5 4.8 64.7 1.0

Cadmium binding site 10 out of 11 in 1mox

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Cadmium binding site 10 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd728

b:1.0
occ:1.00
ND1 C:HIS35 3.0 51.1 1.0
ND1 C:HIS18 3.3 40.9 1.0
CE1 C:HIS35 3.7 54.3 1.0
CB C:HIS18 4.1 41.4 1.0
CG C:HIS18 4.1 42.0 1.0
CG C:HIS35 4.2 49.3 1.0
CA C:HIS18 4.3 42.9 1.0
CE1 C:HIS18 4.3 41.3 1.0
CB C:HIS35 4.6 45.7 1.0
O C:PHE17 4.7 44.6 1.0
CE1 C:TYR38 4.9 29.9 1.0
NE2 C:HIS35 4.9 54.2 1.0
C C:HIS18 4.9 44.0 1.0

Cadmium binding site 11 out of 11 in 1mox

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Cadmium binding site 11 out of 11 in the Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 11 of Crystal Structure of Human Epidermal Growth Factor Receptor (Residues 1-501) in Complex with Tgf-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cd729

b:0.9
occ:1.00
ND1 D:HIS45 2.4 30.8 1.0
CE1 D:HIS45 3.0 32.4 1.0
NE2 B:HIS409 3.5 38.8 1.0
CG D:HIS45 3.6 31.3 1.0
CD2 B:HIS409 3.9 39.3 1.0
CB D:HIS45 4.2 32.8 1.0
NE2 D:HIS45 4.3 31.2 1.0
OE1 B:GLN408 4.5 40.4 1.0
NE2 B:GLN408 4.5 41.3 1.0
CD2 D:HIS45 4.6 32.3 1.0
CE1 B:HIS409 4.7 41.2 1.0
OE1 D:GLU44 4.7 42.2 1.0
CD B:GLN408 4.9 41.5 1.0
O D:HOH818 4.9 41.0 1.0

Reference:

T.P.J.Garrett, N.M.Mckern, M.Lou, T.C.Elleman, T.E.Adams, G.O.Lovrecz, H.-J.Zhu, F.Walker, M.J.Frenkel, P.A.Hoyne, R.N.Jorissen, E.C.Nice, A.W.Burgess, C.W.Ward. Crystal Structure of A Truncated Epidermal Growth Factor Receptor Extracellular Domain Bound to Transforming Growth Factor Alpha Cell(Cambridge,Mass.) V. 110 763 2002.
ISSN: ISSN 0092-8674
PubMed: 12297049
DOI: 10.1016/S0092-8674(02)00940-6
Page generated: Fri Aug 28 12:12:23 2020
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