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Tungsten in PDB 1mu7: Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex

Protein crystallography data

The structure of Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex, PDB code: 1mu7 was solved by D.R.Davies, H.Interthal, J.J.Champoux, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.30 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.058, 105.276, 194.683, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 21.8

Tungsten Binding Sites:

The binding sites of Tungsten atom in the Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex (pdb code 1mu7). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex, PDB code: 1mu7:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in 1mu7

Go back to Tungsten Binding Sites List in 1mu7
Tungsten binding site 1 out of 2 in the Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W609

b:23.9
occ:1.00
W A:WO4609 0.0 23.9 1.0
O1 A:GOL610 1.5 24.1 1.0
O1 A:WO4609 1.6 21.5 1.0
O3 A:WO4609 1.6 25.1 1.0
O2 A:GOL610 2.0 26.6 1.0
O2 A:WO4609 2.0 25.6 1.0
NE2 A:HIS263 2.3 18.2 1.0
C1 A:GOL610 2.6 25.9 1.0
C2 A:GOL610 2.7 27.1 1.0
CE1 A:HIS263 3.2 18.0 1.0
CD2 A:HIS263 3.3 18.8 1.0
NE2 A:HIS493 3.6 17.7 1.0
NZ A:LYS265 3.7 19.6 1.0
O A:HOH983 3.8 25.7 1.0
CE1 A:HIS493 3.9 17.2 1.0
O A:HOH984 4.0 24.7 1.0
C3 A:GOL610 4.1 31.0 1.0
ND2 A:ASN283 4.3 19.5 1.0
ND1 A:HIS263 4.4 18.7 1.0
ND2 A:ASN516 4.4 23.7 1.0
CG A:HIS263 4.4 18.9 1.0
NZ A:LYS495 4.5 18.2 1.0
O3 A:GOL610 4.6 35.2 1.0
CD2 A:TYR204 4.7 29.2 1.0
CD2 A:HIS493 4.8 18.2 1.0
CE A:LYS265 4.9 20.9 1.0
CE A:LYS495 4.9 17.1 1.0

Tungsten binding site 2 out of 2 in 1mu7

Go back to Tungsten Binding Sites List in 1mu7
Tungsten binding site 2 out of 2 in the Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of A Human Tyrosyl-Dna Phosphodiesterase (TDP1)- Tungstate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W609

b:19.0
occ:1.00
W B:WO4609 0.0 19.0 1.0
O1 B:WO4609 1.6 18.3 1.0
O3 B:WO4609 1.7 19.0 1.0
O1 B:GOL610 1.8 21.7 1.0
O2 B:WO4609 1.8 22.4 1.0
O2 B:GOL610 2.1 21.2 1.0
NE2 B:HIS263 2.3 12.4 1.0
C2 B:GOL610 2.8 22.4 1.0
C1 B:GOL610 3.0 19.1 1.0
CD2 B:HIS263 3.2 11.9 1.0
CE1 B:HIS263 3.3 13.9 1.0
NE2 B:HIS493 3.5 11.0 1.0
NZ B:LYS265 3.6 18.2 1.0
O B:HOH982 3.9 19.5 1.0
O B:HOH1103 3.9 41.8 1.0
CE1 B:HIS493 3.9 11.6 1.0
O B:HOH938 3.9 18.0 1.0
O B:HOH1102 3.9 38.3 1.0
C3 B:GOL610 4.0 24.2 1.0
ND2 B:ASN283 4.2 12.1 1.0
ND1 B:HIS263 4.4 13.4 1.0
CG B:HIS263 4.4 13.9 1.0
NZ B:LYS495 4.4 10.1 1.0
ND2 B:ASN516 4.4 14.3 1.0
CD2 B:TYR204 4.5 21.0 1.0
O3 B:GOL610 4.7 28.2 1.0
CD2 B:HIS493 4.7 11.5 1.0
CE B:LYS265 4.9 19.4 1.0
CE B:LYS495 4.9 11.0 1.0
CE2 B:TYR204 4.9 20.9 1.0

Reference:

D.R.Davies, H.Interthal, J.J.Champoux, W.G.J.Hol. Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-Dna Phosphodiesterase (TDP1) From Vanadate- and Tungstate-Inhibited Structures J.Mol.Biol. V. 324 917 2003.
ISSN: ISSN 0022-2836
PubMed: 12470949
DOI: 10.1016/S0022-2836(02)01154-3
Page generated: Wed Dec 16 02:33:11 2020

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