Atomistry » Bromine » PDB 101d-1e5a » 1a35
Atomistry »
  Bromine »
    PDB 101d-1e5a »
      1a35 »

Bromine in PDB 1a35: Human Topoisomerase I/Dna Complex

Enzymatic activity of Human Topoisomerase I/Dna Complex

All present enzymatic activity of Human Topoisomerase I/Dna Complex:
5.99.1.2;

Protein crystallography data

The structure of Human Topoisomerase I/Dna Complex, PDB code: 1a35 was solved by M.R.Redinbo, L.Stewart, P.Kuhn, J.J.Champoux, W.G.Hol, 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 (°) 71.800, 66.300, 71.800, 90.00, 98.40, 90.00
R / Rfree (%) 20.9 / 30.8

Bromine Binding Sites:

The binding sites of Bromine atom in the Human Topoisomerase I/Dna Complex (pdb code 1a35). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Human Topoisomerase I/Dna Complex, PDB code: 1a35:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 1 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br18

b:55.8
occ:0.25
 BR C:BRU18 0.0 55.8 0.2
C5 C:BRU18 2.1 43.9 1.0
C6 C:BRU18 3.0 43.0 1.0
C4 C:BRU18 3.1 41.9 1.0
O4 C:BRU18 3.3 38.0 1.0
C8 C:DA17 3.3 32.0 1.0
N7 C:DA17 3.6 27.3 1.0
C2' C:DA17 3.7 56.4 1.0
O C:HOH1214 3.7 60.0 1.0
N9 C:DA17 3.9 36.3 1.0
C5 C:DA17 4.3 21.1 1.0
N3 C:BRU18 4.3 39.4 1.0
N1 C:BRU18 4.4 51.5 1.0
C1' C:DA17 4.4 46.5 1.0
C4 C:DA17 4.5 26.5 1.0
C3' C:DA17 4.8 62.4 1.0
C2 C:BRU18 4.9 46.7 1.0

Bromine binding site 2 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 2 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br19

b:50.7
occ:0.29
 BR C:BRU19 0.0 50.7 0.3
C5 C:BRU19 2.1 35.9 1.0
O C:HOH1214 2.9 60.0 1.0
C6 C:BRU19 3.0 40.6 1.0
C4 C:BRU19 3.1 33.0 1.0
O4 C:BRU19 3.3 28.6 1.0
C2' C:BRU18 3.4 66.1 1.0
C6 C:BRU18 3.7 43.0 1.0
N1 C:BRU18 3.9 51.5 1.0
C1' C:BRU18 4.1 61.7 1.0
C5 C:BRU18 4.2 43.9 1.0
N3 C:BRU19 4.3 28.9 1.0
N1 C:BRU19 4.4 44.5 1.0
O4 C:DT20 4.4 49.0 1.0
C2 C:BRU18 4.5 46.7 1.0
OP2 C:BRU19 4.6 72.6 1.0
C3' C:BRU18 4.8 69.2 1.0
C4 C:BRU18 4.9 41.9 1.0
N3 C:BRU18 4.9 39.4 1.0
C2 C:BRU19 4.9 36.6 1.0

Bromine binding site 3 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 3 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br107

b:48.1
occ:0.27
 BR D:BRU107 0.0 48.1 0.3
C5 D:BRU107 2.1 37.0 1.0
C4 D:BRU107 3.0 36.8 1.0
C6 D:BRU107 3.0 42.3 1.0
O4 D:BRU107 3.2 32.0 1.0
C5 D:DT106 3.8 27.1 1.0
C6 D:DT106 3.8 30.7 1.0
C7 D:DT106 4.0 21.0 1.0
N3 D:BRU107 4.3 35.5 1.0
BR D:BRU108 4.3 46.8 0.2
N1 D:BRU107 4.4 45.7 1.0
N1 D:DT106 4.4 40.9 1.0
C4 D:DT106 4.4 28.7 1.0
C2' D:DT106 4.5 62.3 1.0
O4 D:BRU108 4.5 29.6 1.0
N3 D:DT106 4.8 25.6 1.0
C2 D:DT106 4.9 38.7 1.0
C2 D:BRU107 4.9 38.3 1.0
O4 D:DT106 5.0 32.5 1.0

Bromine binding site 4 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 4 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br108

b:46.8
occ:0.24
 BR D:BRU108 0.0 46.8 0.2
C5 D:BRU108 2.1 32.9 1.0
C4 D:BRU108 3.0 36.5 1.0
C6 D:BRU108 3.1 33.9 1.0
O4 D:BRU108 3.2 29.6 1.0
C6 D:BRU107 3.5 42.3 1.0
C5 D:BRU107 3.8 37.0 1.0
N1 D:BRU107 4.1 45.7 1.0
C2' D:BRU107 4.1 56.1 1.0
O C:HOH1226 4.2 60.3 1.0
BR D:BRU107 4.3 48.1 0.3
N3 D:BRU108 4.3 33.8 1.0
N1 D:BRU108 4.4 34.0 1.0
O4 D:BRU109 4.5 16.6 1.0
C4 D:BRU107 4.6 36.8 1.0
C1' D:BRU107 4.6 53.6 1.0
C2 D:BRU107 4.8 38.3 1.0
N3 D:BRU107 4.9 35.5 1.0
C2 D:BRU108 4.9 34.9 1.0

Bromine binding site 5 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 5 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br109

b:31.0
occ:0.18
 BR D:BRU109 0.0 31.0 0.2
C5 D:BRU109 2.1 21.5 1.0
C6 D:BRU109 3.0 27.1 1.0
C4 D:BRU109 3.1 21.8 1.0
O4 D:BRU109 3.3 16.6 1.0
C2' D:BRU108 3.6 35.6 1.0
C6 D:BRU108 3.8 33.9 1.0
N1 D:BRU108 4.0 34.0 1.0
C1' D:BRU108 4.3 34.1 1.0
C5 D:BRU108 4.3 32.9 1.0
N3 D:BRU109 4.3 23.1 1.0
N1 D:BRU109 4.4 35.3 1.0
C2 D:BRU108 4.6 34.9 1.0
C2 D:BRU109 4.9 33.2 1.0
C3' D:BRU108 4.9 39.2 1.0
OP2 D:BRU109 5.0 46.2 1.0
C4 D:BRU108 5.0 36.5 1.0

Bromine binding site 6 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 6 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br110

b:57.1
occ:0.29
 BR D:BRU110 0.0 57.1 0.3
C5 D:BRU110 2.1 34.5 1.0
C6 D:BRU110 3.0 40.2 1.0
C4 D:BRU110 3.1 29.1 1.0
O D:HOH1116 3.2 48.7 1.0
O4 D:BRU110 3.3 25.7 1.0
O D:HOH1140 3.3 69.5 1.0
C2' D:BRU109 3.4 42.7 1.0
OP2 D:BRU110 3.9 64.6 1.0
C6 D:BRU109 4.0 27.1 1.0
N1 D:BRU109 4.1 35.3 1.0
C1' D:BRU109 4.2 39.9 1.0
N3 D:BRU110 4.3 21.5 1.0
N1 D:BRU110 4.3 43.3 1.0
C5 D:BRU109 4.6 21.5 1.0
N4 D:DC111 4.6 16.5 1.0
C2 D:BRU109 4.7 33.2 1.0
C3' D:BRU109 4.8 47.3 1.0
C2 D:BRU110 4.9 37.3 1.0

Bromine binding site 7 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 7 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br112

b:69.2
occ:0.44
 BR D:BRU112 0.0 69.2 0.4
C5 D:BRU112 2.1 23.5 1.0
O D:HOH1115 2.7 48.5 1.0
C6 D:BRU112 3.0 28.5 1.0
C4 D:BRU112 3.0 23.4 1.0
O D:HOH1025 3.2 32.3 1.0
O4 D:BRU112 3.2 24.6 1.0
O D:HOH1107 3.5 65.9 1.0
O D:HOH1164 4.0 46.3 1.0
CB A:ASN352 4.0 32.2 1.0
CG A:ASN352 4.2 32.8 1.0
ND2 A:ASN352 4.3 32.1 1.0
N3 D:BRU112 4.3 19.2 1.0
C5 D:DC111 4.3 13.6 1.0
C6 D:DC111 4.3 20.0 1.0
N1 D:BRU112 4.3 27.2 1.0
C2' D:DC111 4.7 26.6 1.0
OD1 A:ASN352 4.8 36.3 1.0
C2 D:BRU112 4.9 25.0 1.0

Bromine binding site 8 out of 8 in 1a35

Go back to Bromine Binding Sites List in 1a35
Bromine binding site 8 out of 8 in the Human Topoisomerase I/Dna Complex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Human Topoisomerase I/Dna Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br121

b:65.6
occ:0.43
 BR D:BRU121 0.0 65.6 0.4
C5 D:BRU121 2.1 34.4 1.0
O D:HOH1062 2.9 61.4 1.0
C6 D:BRU121 3.0 23.1 1.0
O D:HOH1208 3.1 40.9 1.0
C4 D:BRU121 3.1 33.2 1.0
C2' D:DT120 3.3 38.8 1.0
O4 D:BRU121 3.3 33.6 1.0
C6 D:DT120 3.6 22.1 1.0
N1 D:DT120 3.8 24.0 1.0
O D:HOH1194 3.9 64.6 1.0
C1' D:DT120 4.1 29.1 1.0
O D:HOH1124 4.1 40.5 1.0
C5 D:DT120 4.1 14.6 1.0
N1 D:BRU121 4.3 20.0 1.0
N3 D:BRU121 4.3 16.3 1.0
C2 D:DT120 4.5 23.7 1.0
C3' D:DT120 4.6 43.8 1.0
C7 D:DT120 4.6 14.4 1.0
C4 D:DT120 4.8 14.0 1.0
C2 D:BRU121 4.9 20.8 1.0
N3 D:DT120 4.9 8.6 1.0
OP2 D:BRU121 5.0 56.2 1.0

Reference:

M.R.Redinbo, L.Stewart, P.Kuhn, J.J.Champoux, W.G.Hol. Crystal Structures of Human Topoisomerase I in Covalent and Noncovalent Complexes with Dna. Science V. 279 1504 1998.
ISSN: ISSN 0036-8075
PubMed: 9488644
DOI: 10.1126/SCIENCE.279.5356.1504
Page generated: Wed Jul 10 16:17:30 2024

Last articles

Cl in 6COG
Cl in 6CST
Cl in 6CTW
Cl in 6CTZ
Cl in 6CTT
Cl in 6CSP
Cl in 6CU9
Cl in 6CTX
Cl in 6CTU
Cl in 6CTP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy