Atomistry » Bromine » PDB 1e7b-1ih6 » 1ih6
Atomistry »
  Bromine »
    PDB 1e7b-1ih6 »
      1ih6 »

Bromine in PDB 1ih6: Multi-Conformation Crystal Structure of GGBR5CGCC

Protein crystallography data

The structure of Multi-Conformation Crystal Structure of GGBR5CGCC, PDB code: 1ih6 was solved by J.M.Vargason, K.Henderson, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.45
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 41.170, 41.170, 175.120, 90.00, 90.00, 120.00
R / Rfree (%) 13.8 / 18.7

Bromine Binding Sites:

The binding sites of Bromine atom in the Multi-Conformation Crystal Structure of GGBR5CGCC (pdb code 1ih6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Multi-Conformation Crystal Structure of GGBR5CGCC, PDB code: 1ih6:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 1 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br3

b:16.9
occ:1.00
 BR A:CBR3 0.0 16.9 1.0
C5 A:CBR3 1.8 14.2 1.0
C6 A:CBR3 2.8 13.4 1.0
C4 A:CBR3 2.8 13.7 1.0
N4 A:CBR3 3.1 15.5 1.0
O A:HOH53 3.4 21.8 1.0
O A:HOH54 3.7 26.1 1.0
C5 A:DG2 3.7 12.8 1.0
N7 A:DG2 3.7 14.1 1.0
O A:HOH56 3.8 27.3 1.0
C8 A:DG2 3.8 11.1 1.0
O A:HOH60 3.8 17.5 1.0
OP2 A:CBR3 3.8 16.3 1.0
C4 A:DG2 3.9 10.8 1.0
O A:HOH58 3.9 23.1 1.0
N9 A:DG2 3.9 11.9 1.0
O A:HOH260 4.1 50.0 1.0
N3 A:CBR3 4.1 12.6 1.0
N1 A:CBR3 4.1 11.8 1.0
O A:HOH61 4.1 24.1 1.0
C6 A:DG2 4.2 11.7 1.0
C3' A:DG2 4.3 13.3 1.0
C2' A:DG2 4.4 13.1 1.0
N3 A:DG2 4.5 11.2 1.0
O5' A:CBR3 4.6 13.2 1.0
C2 A:CBR3 4.6 10.7 1.0
P A:CBR3 4.7 14.2 1.0
C1' A:DG2 4.7 12.5 1.0
O6 A:DG2 4.8 12.9 1.0
N1 A:DG2 4.8 11.0 1.0
C2 A:DG2 4.9 11.6 1.0
O3' A:DG2 5.0 13.3 1.0
O A:HOH51 5.0 31.1 1.0

Bromine binding site 2 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 2 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br9

b:17.6
occ:1.00
 BR B:CBR9 0.0 17.6 1.0
C5 B:CBR9 1.8 16.1 1.0
C6 B:CBR9 2.8 16.2 1.0
C4 B:CBR9 2.8 14.6 1.0
N4 B:CBR9 3.1 15.0 1.0
O B:HOH74 3.3 30.6 1.0
N7 B:DG8 3.7 14.6 1.0
O B:HOH75 3.7 29.0 1.0
OP2 B:CBR9 3.7 17.6 1.0
C5 B:DG8 3.7 14.2 1.0
C8 B:DG8 3.7 14.9 1.0
C4 B:DG8 3.8 12.0 1.0
N9 B:DG8 3.9 13.1 1.0
O B:HOH79 3.9 22.9 1.0
O B:HOH77 3.9 23.7 1.0
O B:HOH78 4.0 24.2 1.0
O B:HOH234 4.0 40.4 1.0
N1 B:CBR9 4.1 19.3 1.0
N3 B:CBR9 4.1 14.3 1.0
C3' B:DG8 4.1 14.3 1.0
C2' B:DG8 4.2 14.6 1.0
O B:HOH80 4.3 24.7 1.0
C6 B:DG8 4.3 13.5 1.0
N3 B:DG8 4.5 13.2 1.0
O5' B:CBR9 4.6 16.2 1.0
C1' B:DG8 4.6 13.6 1.0
C2 B:CBR9 4.7 15.3 1.0
P B:CBR9 4.7 16.1 1.0
O3' B:DG8 4.8 15.0 1.0
N1 B:DG8 4.9 12.6 1.0
O6 B:DG8 4.9 13.3 1.0
C2 B:DG8 4.9 12.3 1.0
O5' B:DG8 5.0 16.8 1.0

Bromine binding site 3 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 3 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br15

b:16.5
occ:1.00
 BR C:CBR15 0.0 16.5 1.0
C5 C:CBR15 1.8 13.2 1.0
C6 C:CBR15 2.8 14.5 1.0
C4 C:CBR15 2.8 12.9 1.0
N4 C:CBR15 3.1 13.0 1.0
O C:HOH91 3.1 44.2 1.0
O C:HOH92 3.4 21.9 1.0
OP2 C:CBR15 3.6 16.3 1.0
O C:HOH94 3.7 29.8 1.0
C8 C:DG14 3.8 12.5 1.0
O C:HOH95 3.8 19.9 1.0
N7 C:DG14 3.8 12.6 1.0
N9 C:DG14 4.0 13.1 1.0
C3' C:DG14 4.0 12.2 1.0
O C:HOH96 4.0 16.8 1.0
C5 C:DG14 4.1 10.2 1.0
N3 C:CBR15 4.1 12.0 1.0
N1 C:CBR15 4.1 15.1 1.0
C4 C:DG14 4.2 10.9 1.0
O5' C:DG14 4.2 14.3 1.0
C2' C:DG14 4.3 12.4 1.0
O5' C:CBR15 4.4 15.8 1.0
OP2 C:DG14 4.5 16.1 1.0
P C:CBR15 4.5 15.7 1.0
C2 C:CBR15 4.6 12.3 1.0
O C:HOH192 4.6 39.4 1.0
C1' C:DG14 4.6 12.9 1.0
O3' C:DG14 4.7 14.0 1.0
C6 C:DG14 4.8 9.2 1.0
O C:HOH193 4.9 33.5 1.0
N3 C:DG14 4.9 12.3 1.0
C4' C:DG14 5.0 13.4 1.0
P C:DG14 5.0 16.1 1.0

Bromine binding site 4 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 4 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br21

b:16.3
occ:1.00
 BR D:CBR21 0.0 16.3 1.0
C5 D:CBR21 1.8 11.8 1.0
C6 D:CBR21 2.8 12.2 1.0
C4 D:CBR21 2.8 12.5 1.0
N4 D:CBR21 3.1 12.1 1.0
O D:HOH107 3.4 31.5 1.0
O D:HOH108 3.6 23.4 1.0
O D:HOH112 3.6 22.7 1.0
OP2 D:CBR21 3.7 15.6 1.0
N7 D:DG20 3.7 12.1 1.0
C8 D:DG20 3.8 12.7 1.0
C5 D:DG20 3.9 9.8 1.0
O D:HOH110 3.9 34.7 1.0
O D:HOH113 4.0 17.4 1.0
N9 D:DG20 4.0 11.1 1.0
C4 D:DG20 4.0 9.9 1.0
N1 D:CBR21 4.1 11.6 1.0
N3 D:CBR21 4.1 11.4 1.0
C3' D:DG20 4.2 13.1 1.0
O D:HOH114 4.2 16.6 1.0
O D:HOH105 4.3 33.9 1.0
C2' D:DG20 4.3 12.1 1.0
O5' D:CBR21 4.5 15.1 1.0
C6 D:DG20 4.5 10.3 1.0
C2 D:CBR21 4.6 11.0 1.0
P D:CBR21 4.6 14.9 1.0
N3 D:DG20 4.7 9.8 1.0
C1' D:DG20 4.7 12.4 1.0
O3' D:DG20 4.9 13.8 1.0
O5' D:DG20 4.9 14.0 1.0
O6 D:DG20 5.0 11.4 1.0

Bromine binding site 5 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 5 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br27

b:16.6
occ:1.00
 BR E:CBR27 0.0 16.6 1.0
C5 E:CBR27 1.8 13.6 1.0
C6 E:CBR27 2.8 13.5 1.0
C4 E:CBR27 2.8 12.3 1.0
N4 E:CBR27 3.1 13.3 1.0
O E:HOH127 3.2 36.5 1.0
O E:HOH128 3.6 22.3 1.0
OP2 E:CBR27 3.7 18.1 1.0
N7 E:DG26 3.7 13.0 1.0
C8 E:DG26 3.7 12.1 1.0
O E:HOH132 3.7 17.5 1.0
C5 E:DG26 3.8 11.1 1.0
O E:HOH280 3.9 68.4 1.0
O E:HOH131 3.9 26.3 1.0
N9 E:DG26 3.9 11.0 1.0
C4 E:DG26 4.0 11.5 1.0
C3' E:DG26 4.0 13.4 1.0
N1 E:CBR27 4.1 13.4 1.0
N3 E:CBR27 4.1 12.4 1.0
O E:HOH133 4.2 23.4 1.0
C2' E:DG26 4.2 13.3 1.0
O5' E:DG26 4.4 15.3 1.0
O E:HOH201 4.4 35.6 1.0
O5' E:CBR27 4.4 16.4 1.0
C6 E:DG26 4.5 10.1 1.0
P E:CBR27 4.6 16.4 1.0
C1' E:DG26 4.6 11.3 1.0
C2 E:CBR27 4.6 12.1 1.0
OP2 E:DG26 4.7 20.1 1.0
N3 E:DG26 4.7 11.3 1.0
O3' E:DG26 4.8 15.5 1.0
N7 E:DG28 4.9 13.9 1.0
O E:HOH254 5.0 60.1 1.0

Bromine binding site 6 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 6 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br33

b:16.6
occ:1.00
 BR F:CBR33 0.0 16.6 1.0
C5 F:CBR33 1.8 15.7 1.0
C6 F:CBR33 2.8 14.1 1.0
C4 F:CBR33 2.8 14.1 1.0
N4 F:CBR33 3.1 12.6 1.0
O F:HOH143 3.3 25.2 1.0
N7 F:DG32 3.6 13.5 1.0
C5 F:DG32 3.6 12.6 1.0
OP2 F:CBR33 3.7 16.4 1.0
C8 F:DG32 3.7 14.9 1.0
O F:HOH144 3.7 23.2 1.0
O F:HOH148 3.8 17.0 1.0
C4 F:DG32 3.8 12.5 1.0
N9 F:DG32 3.8 13.5 1.0
O F:HOH147 3.9 25.1 1.0
N1 F:CBR33 4.1 14.8 1.0
O F:HOH145 4.1 25.4 1.0
N3 F:CBR33 4.1 12.1 1.0
C3' F:DG32 4.2 16.5 1.0
C6 F:DG32 4.2 11.7 1.0
C2' F:DG32 4.2 13.8 1.0
O F:HOH149 4.4 16.2 1.0
N3 F:DG32 4.4 12.8 1.0
O5' F:CBR33 4.5 15.0 1.0
C2 F:CBR33 4.6 12.0 1.0
C1' F:DG32 4.6 13.9 1.0
P F:CBR33 4.7 16.4 1.0
N1 F:DG32 4.8 11.7 1.0
O6 F:DG32 4.8 12.8 1.0
C2 F:DG32 4.8 11.9 1.0
O3' F:DG32 4.9 16.8 1.0
O F:HOH141 4.9 26.7 1.0
O5' F:DG32 4.9 16.6 1.0

Bromine binding site 7 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 7 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br39

b:30.5
occ:1.00
 BR G:CBR39 0.0 30.5 1.0
C5 G:CBR39 1.8 30.1 1.0
C6 G:CBR39 2.8 33.6 1.0
C4 G:CBR39 2.8 28.5 1.0
N4 G:CBR39 3.1 31.5 1.0
O G:HOH165 3.4 30.3 1.0
O G:HOH163 3.4 35.5 1.0
OP2 G:CBR39 3.8 24.1 1.0
N7 G:DG38 3.8 25.6 1.0
C8 G:DG38 3.8 22.9 1.0
C5 G:DG38 3.9 24.7 1.0
N9 G:DG38 3.9 26.5 1.0
C4 G:DG38 3.9 24.9 1.0
C3' G:DG38 4.0 26.2 1.0
N1 G:CBR39 4.0 34.8 1.0
N3 G:CBR39 4.0 34.0 1.0
O G:HOH167 4.1 31.7 1.0
O G:HOH168 4.2 36.1 1.0
O G:HOH166 4.2 38.8 1.0
C2' G:DG38 4.2 29.4 1.0
O G:HOH164 4.3 33.5 1.0
C6 G:DG38 4.5 28.9 1.0
C2 G:CBR39 4.5 29.9 1.0
O5' G:CBR39 4.6 32.4 1.0
N3 G:DG38 4.6 29.0 1.0
C1' G:DG38 4.6 27.0 1.0
P G:CBR39 4.7 26.5 1.0
O3' G:DG38 4.8 24.1 1.0
C5' G:DG38 4.9 18.4 1.0
C4' G:DG38 4.9 24.8 1.0
O6 G:DG38 5.0 30.3 1.0

Bromine binding site 8 out of 8 in 1ih6

Go back to Bromine Binding Sites List in 1ih6
Bromine binding site 8 out of 8 in the Multi-Conformation Crystal Structure of GGBR5CGCC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Multi-Conformation Crystal Structure of GGBR5CGCC within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br45

b:38.9
occ:1.00
 BR H:CBR45 0.0 38.9 1.0
C5 H:CBR45 1.8 30.9 1.0
C6 H:CBR45 2.8 36.1 1.0
C4 H:CBR45 2.8 33.6 1.0
N4 H:CBR45 3.1 39.9 1.0
O H:HOH256 3.5 54.9 1.0
OP2 H:CBR45 3.7 41.4 1.0
O H:HOH179 3.7 40.9 1.0
C8 H:DG44 3.8 21.7 1.0
N7 H:DG44 3.8 23.1 1.0
O H:HOH278 3.9 51.9 1.0
C5 H:DG44 3.9 22.9 1.0
N9 H:DG44 3.9 22.2 1.0
C4 H:DG44 4.0 19.9 1.0
C3' H:DG44 4.0 26.7 1.0
N3 H:CBR45 4.0 34.0 1.0
N1 H:CBR45 4.1 34.6 1.0
O5' H:CBR45 4.3 44.6 1.0
C2' H:DG44 4.3 27.7 1.0
O H:HOH274 4.4 54.7 1.0
P H:CBR45 4.5 41.6 1.0
C6 H:DG44 4.6 21.1 1.0
C2 H:CBR45 4.6 33.0 1.0
C1' H:DG44 4.6 23.9 1.0
N3 H:DG44 4.6 21.2 1.0
O H:HOH264 4.7 53.2 1.0
C5' H:DG44 4.8 28.5 1.0
O3' H:DG44 4.8 32.9 1.0
C4' H:DG44 4.9 25.2 1.0

Reference:

J.M.Vargason, K.Henderson, P.S.Ho. A Crystallographic Map of the Transition From B-Dna to A-Dna. Proc.Natl.Acad.Sci.Usa V. 98 7265 2001.
ISSN: ISSN 0027-8424
PubMed: 11390969
DOI: 10.1073/PNAS.121176898
Page generated: Wed Jul 10 16:40:55 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy