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Cadmium in PDB 3r7c: The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing

Enzymatic activity of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing

All present enzymatic activity of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing:
1.8.3.2;

Protein crystallography data

The structure of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing, PDB code: 3r7c was solved by Q.J.Florence, C.-K.Wu, J.T.Swindell Ii, B.C.Wang, J.P.Rose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.64 / 2.40
Space group I 41
Cell size a, b, c (Å), α, β, γ (°) 99.688, 99.688, 113.610, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 21.1

Cadmium Binding Sites:

The binding sites of Cadmium atom in the The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing (pdb code 3r7c). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 5 binding sites of Cadmium where determined in the The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing, PDB code: 3r7c:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5;

Cadmium binding site 1 out of 5 in 3r7c

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Cadmium binding site 1 out of 5 in the The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd500

b:20.0
occ:1.00
O A:HOH506 2.3 9.0 1.0
OD2 A:ASP74 2.4 20.9 1.0
CL A:CL504 2.5 22.8 1.0
OD1 A:ASP74 2.6 16.2 1.0
CL A:CL502 2.6 16.2 1.0
CL A:CL503 2.7 22.1 1.0
CG A:ASP74 2.8 18.9 1.0
O A:HOH160 3.8 36.8 1.0
CD A:CD501 3.8 19.1 1.0
ND1 A:HIS54 4.3 12.7 1.0
NZ B:LYS58 4.3 20.1 1.0
O A:ARG70 4.3 19.9 1.0
CB A:ASP74 4.3 13.5 1.0
O A:HOH176 4.5 36.4 1.0
OG A:SER57 4.5 16.7 1.0
CG A:ARG70 4.5 36.0 1.0
ND1 B:HIS54 4.7 17.5 1.0
OD1 B:ASP74 4.9 17.5 1.0
CG A:LYS58 4.9 29.9 1.0
CE1 A:HIS54 4.9 17.1 1.0
CL A:CL505 5.0 16.8 1.0

Cadmium binding site 2 out of 5 in 3r7c

Go back to Cadmium Binding Sites List in 3r7c
Cadmium binding site 2 out of 5 in the The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd501

b:19.1
occ:1.00
CL A:CL505 2.4 16.8 1.0
OD1 B:ASP74 2.5 17.5 1.0
OD2 B:ASP74 2.5 18.4 1.0
O A:HOH507 2.5 22.2 1.0
CL A:CL503 2.6 22.1 1.0
CL A:CL502 2.7 16.2 1.0
CG B:ASP74 2.8 17.1 1.0
CD A:CD500 3.8 20.0 1.0
O B:ARG70 4.2 17.9 1.0
ND1 B:HIS54 4.2 17.5 1.0
CB B:ASP74 4.3 13.0 1.0
CG B:ARG70 4.5 29.1 1.0
OG B:SER57 4.6 15.9 1.0
ND1 A:HIS54 4.7 12.7 1.0
CE1 B:HIS54 4.9 22.3 1.0
CD B:LYS58 4.9 19.6 1.0
CG B:LYS58 4.9 17.1 1.0
CB A:HIS54 4.9 8.9 1.0
CL A:CL504 4.9 22.8 1.0
OD1 A:ASP74 5.0 16.2 1.0
CG A:HIS54 5.0 14.5 1.0

Cadmium binding site 3 out of 5 in 3r7c

Go back to Cadmium Binding Sites List in 3r7c
Cadmium binding site 3 out of 5 in the The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd130

b:39.2
occ:1.00
OE1 B:GLU113 2.4 26.8 1.0
O B:HOH138 2.5 1.6 1.0
O B:HOH139 2.5 12.7 1.0
OE2 B:GLU113 3.0 36.0 1.0
CD B:GLU113 3.1 31.5 1.0
CE3 B:TRP119 4.2 29.9 1.0
N B:LYS120 4.2 21.9 1.0
CB B:LYS120 4.4 21.0 1.0
CG B:GLU113 4.6 28.0 1.0
CD B:LYS120 4.7 27.1 1.0
CZ3 B:TRP119 4.7 29.3 1.0
CG B:LYS120 4.7 21.7 1.0
CA B:LYS120 4.9 22.5 1.0

Cadmium binding site 4 out of 5 in 3r7c

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Cadmium binding site 4 out of 5 in the The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd131

b:49.3
occ:1.00
O B:HOH141 2.6 13.5 1.0
OE1 B:GLN47 2.6 29.7 1.0
OE2 B:GLU44 2.7 41.4 1.0
O A:HOH133 2.7 21.6 1.0
OE1 B:GLU44 3.4 45.1 1.0
CD B:GLU44 3.4 42.9 1.0
CD B:GLN47 3.5 25.1 1.0
O B:HOH196 3.5 42.3 1.0
NE2 B:GLN47 3.7 24.5 1.0
O A:HOH164 3.8 39.9 1.0
NH2 A:ARG75 4.3 16.1 1.0
NE A:ARG75 4.5 19.9 1.0
O A:HOH174 4.8 21.4 1.0
CZ A:ARG75 4.9 18.2 1.0
CG B:GLN47 4.9 18.8 1.0
CG B:GLU44 4.9 35.4 1.0

Cadmium binding site 5 out of 5 in 3r7c

Go back to Cadmium Binding Sites List in 3r7c
Cadmium binding site 5 out of 5 in the The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cd127

b:58.6
occ:0.67
O C:HOH129 2.5 33.7 1.0
OD1 C:ASP107 2.6 40.8 1.0
O C:HOH131 2.8 34.4 1.0
OD2 C:ASP107 2.9 45.9 1.0
CG C:ASP107 3.1 41.0 1.0
OG C:SER109 3.2 27.7 1.0
CB C:SER109 3.4 26.2 1.0
N C:SER109 4.4 29.9 1.0
CB C:ASP107 4.5 31.4 1.0
CA C:SER109 4.6 26.3 1.0

Reference:

Q.J.Florence, C.-K.Wu, J.E.Habel, J.T.Swindell Ii, B.C.Wang, J.P.Rose. The Structure of A Hexahestidine-Tagged Form of Augmenter of Liver Regeneration Reveals A Novel Cd(2)Cl(4)O(6) Cluster That Aids in Crystal Packing To Be Published.
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