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Mercury in PDB 3kbu: Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative

Protein crystallography data

The structure of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative, PDB code: 3kbu was solved by J.J.Ipsaro, A.Mondragon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.82 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 90.130, 98.540, 137.930, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 27.7

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative (pdb code 3kbu). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 8 binding sites of Mercury where determined in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative, PDB code: 3kbu:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Mercury binding site 1 out of 8 in 3kbu

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Mercury binding site 1 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg7

b:0.3
occ:1.00
SG A:CYS1680 2.4 45.7 1.0
O A:LYS1676 2.9 21.9 1.0
N A:CYS1680 3.7 22.3 1.0
CB A:CYS1680 3.8 25.5 1.0
C A:LYS1676 3.8 21.9 1.0
NE2 A:GLN1630 3.9 32.1 1.0
CE A:LYS1676 3.9 37.5 1.0
CD A:GLN1630 3.9 33.9 1.0
CA A:CYS1680 4.0 24.2 1.0
CB A:ALA1679 4.1 19.0 1.0
CA A:LYS1676 4.1 21.9 1.0
C A:ALA1679 4.2 20.7 1.0
OE1 A:GLN1630 4.3 35.2 1.0
CB A:LYS1676 4.3 22.1 1.0
CG A:GLN1630 4.3 31.5 1.0
CG A:LYS1676 4.6 27.5 1.0
CA A:ALA1679 4.7 19.9 1.0
O A:ALA1679 4.8 20.1 1.0
CD A:LYS1676 4.9 34.1 1.0
NZ A:LYS1676 4.9 38.5 1.0

Mercury binding site 2 out of 8 in 3kbu

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Mercury binding site 2 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg8

b:0.5
occ:1.00
SG B:CYS1680 2.4 48.7 1.0
O B:LYS1676 3.1 22.5 1.0
N B:CYS1680 3.6 22.1 1.0
NE2 B:GLN1630 3.7 31.4 1.0
CD B:GLN1630 3.8 35.0 1.0
CB B:CYS1680 3.8 25.1 1.0
CB B:ALA1679 3.9 19.3 1.0
CA B:CYS1680 3.9 23.5 1.0
C B:LYS1676 4.0 21.4 1.0
CG B:GLN1630 4.1 32.4 1.0
CA B:LYS1676 4.1 20.7 1.0
C B:ALA1679 4.1 20.9 1.0
OE1 B:GLN1630 4.2 35.8 1.0
CB B:LYS1676 4.3 22.8 1.0
CE B:LYS1676 4.3 37.7 1.0
CA B:ALA1679 4.5 19.6 1.0
CG B:LYS1676 4.7 27.9 1.0
O B:ALA1679 4.8 20.6 1.0

Mercury binding site 3 out of 8 in 3kbu

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Mercury binding site 3 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg1

b:73.5
occ:1.00
SG C:CYS943 2.3 15.4 1.0
OG1 C:THR947 3.1 27.4 1.0
CE1 C:PHE985 3.5 24.5 1.0
CB C:CYS943 3.6 30.3 1.0
CB C:THR947 3.7 15.6 1.0
CD1 C:PHE985 3.7 26.0 1.0
CG2 C:THR947 3.8 13.3 1.0
CA C:CYS943 3.9 24.0 1.0
N C:ALA944 4.3 24.5 1.0
CZ C:PHE985 4.4 23.3 1.0
O C:ALA945 4.4 19.4 1.0
C C:CYS943 4.5 32.2 1.0
O C:GLN984 4.6 29.8 1.0
CG C:PHE985 4.8 22.5 1.0

Mercury binding site 4 out of 8 in 3kbu

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Mercury binding site 4 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg5

b:0.0
occ:1.00
SG C:CYS1052 2.4 53.7 1.0
CB C:CYS1052 3.4 16.3 1.0
CA C:CYS1052 3.9 18.7 1.0
CB C:LEU1006 3.9 22.5 1.0
CD1 C:LEU1006 4.1 29.5 1.0
O C:LEU1006 4.6 30.6 1.0
CG C:LEU1006 4.7 31.0 1.0
C C:LEU1006 4.9 27.1 1.0
N C:CYS1052 4.9 23.8 1.0
C C:CYS1052 5.0 33.0 1.0
N C:ARG1053 5.0 27.1 1.0
CG2 C:VAL1008 5.0 11.2 1.0

Mercury binding site 5 out of 8 in 3kbu

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Mercury binding site 5 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg6

b:89.7
occ:0.33
SG C:CYS951 2.4 40.1 1.0
O C:CYS951 2.7 33.1 1.0
CD2 C:LEU934 3.3 39.5 1.0
CB C:CYS951 3.3 27.6 1.0
C C:CYS951 3.3 23.2 1.0
CD1 C:LEU934 3.5 29.1 1.0
CE2 C:PHE913 3.7 35.8 1.0
CA C:CYS951 3.9 26.1 1.0
CG C:LEU934 4.0 27.2 1.0
N C:ARG952 4.1 30.3 1.0
CD2 C:LEU953 4.1 28.8 1.0
CZ C:PHE913 4.1 20.3 1.0
CG C:LEU953 4.2 36.9 1.0
CA C:ARG952 4.5 30.5 1.0
CD1 C:LEU953 4.5 36.0 1.0
O C:LEU914 4.7 28.2 1.0
C C:ARG952 4.7 30.2 1.0
CD2 C:PHE913 4.8 30.1 1.0
N C:CYS951 4.9 24.9 1.0
N C:LEU953 5.0 27.2 1.0

Mercury binding site 6 out of 8 in 3kbu

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Mercury binding site 6 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg2

b:78.4
occ:1.00
SG D:CYS1052 2.4 53.4 1.0
CB D:CYS1052 3.6 16.5 1.0
CD1 D:LEU1006 3.7 29.7 1.0
CA D:CYS1052 3.9 18.0 1.0
CB D:LEU1006 4.0 22.2 1.0
CG D:LEU1006 4.5 31.0 1.0
O D:VAL1051 4.8 33.2 1.0
N D:CYS1052 4.8 23.6 1.0
NE2 D:HIS995 4.9 29.9 1.0
O D:LEU1006 4.9 31.2 1.0
N D:ARG1053 4.9 26.8 1.0
C D:CYS1052 5.0 33.0 1.0
CD2 D:HIS995 5.0 24.1 1.0

Mercury binding site 7 out of 8 in 3kbu

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Mercury binding site 7 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg3

b:69.7
occ:1.00
SG D:CYS951 2.4 37.4 1.0
O D:CYS951 3.1 32.8 1.0
CB D:CYS951 3.5 27.2 1.0
C D:CYS951 3.5 23.2 1.0
CD2 D:LEU934 3.6 39.0 1.0
CD1 D:LEU934 3.7 28.9 1.0
CE2 D:PHE913 3.7 35.6 1.0
CD2 D:LEU953 3.9 29.0 1.0
CG D:LEU953 4.0 36.9 1.0
CZ D:PHE913 4.1 19.9 1.0
CA D:CYS951 4.1 26.2 1.0
N D:ARG952 4.2 29.9 1.0
CG D:LEU934 4.2 26.4 1.0
CD1 D:LEU953 4.3 35.6 1.0
CA D:ARG952 4.4 30.5 1.0
C D:ARG952 4.7 30.0 1.0
O D:LEU914 4.7 27.5 1.0
N D:LEU953 4.8 27.5 1.0
CD2 D:PHE913 4.9 29.8 1.0
CB D:LEU934 4.9 29.4 1.0

Mercury binding site 8 out of 8 in 3kbu

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Mercury binding site 8 out of 8 in the Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Crystal Structure of the Ankyrin Binding Domain of Human Erythroid Beta Spectrin (Repeats 13-15) in Complex with the Spectrin Binding Domain of Human Erythroid Ankyrin (ZU5-Ank), Emts Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg4

b:67.8
occ:1.00
SG D:CYS943 2.3 19.0 1.0
CE1 D:PHE985 3.2 24.3 1.0
CB D:CYS943 3.5 30.9 1.0
CD1 D:PHE985 3.6 25.9 1.0
OG1 D:THR947 3.6 27.2 1.0
CA D:CYS943 3.9 24.0 1.0
CB D:THR947 3.9 15.9 1.0
CG2 D:THR947 3.9 13.3 1.0
CZ D:PHE985 4.2 23.8 1.0
N D:ALA944 4.4 24.7 1.0
C D:CYS943 4.5 31.9 1.0
O D:ALA945 4.6 20.3 1.0
O D:GLN984 4.6 29.6 1.0
CG D:PHE985 4.6 22.7 1.0

Reference:

J.J.Ipsaro, A.Mondragon. Structural Basis For Spectrin Recognition By Ankyrin. Blood V. 115 4093 2010.
ISSN: ISSN 0006-4971
PubMed: 20101027
DOI: 10.1182/BLOOD-2009-11-255604
Page generated: Sun Dec 13 19:09:50 2020

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