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Bromine in PDB 4owh: PTBR6 Binding to Hewl

Enzymatic activity of PTBR6 Binding to Hewl

All present enzymatic activity of PTBR6 Binding to Hewl:
3.2.1.17;

Protein crystallography data

The structure of PTBR6 Binding to Hewl, PDB code: 4owh was solved by S.W.M.Tanley, V.L.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.62 / 1.48
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.663, 78.663, 36.845, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 22.3

Other elements in 4owh:

The structure of PTBR6 Binding to Hewl also contains other interesting chemical elements:

Platinum (Pt) 2 atoms
Chlorine (Cl) 9 atoms
Sodium (Na) 1 atom

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the PTBR6 Binding to Hewl (pdb code 4owh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the PTBR6 Binding to Hewl, PDB code: 4owh:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 1 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:18.5
occ:0.47
 BR1 A:6BP201 0.0 18.5 0.5
PT A:6BP201 2.4 19.7 0.5
BR3 A:6BP201 3.4 22.6 0.5
BR4 A:6BP201 3.5 26.1 0.5
NE A:ARG14 3.5 26.4 1.0
BR2 A:6BP201 3.5 25.5 0.5
CD A:ARG14 4.0 25.9 1.0
CZ A:ARG14 4.1 27.3 1.0
NH2 A:ARG14 4.1 29.8 1.0

Bromine binding site 2 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 2 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:25.5
occ:0.47
 BR2 A:6BP201 0.0 25.5 0.5
PT A:6BP201 2.5 19.7 0.5
BR4 A:6BP201 3.4 26.1 0.5
BR1 A:6BP201 3.5 18.5 0.5
O A:HOH379 3.5 25.6 1.0
O A:HOH419 4.2 24.7 1.0
BR3 A:6BP201 5.0 22.6 0.5

Bromine binding site 3 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 3 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:22.6
occ:0.47
 BR3 A:6BP201 0.0 22.6 0.5
PT A:6BP201 2.5 19.7 0.5
BR1 A:6BP201 3.4 18.5 0.5
BR4 A:6BP201 3.5 26.1 0.5
CB A:ALA10 4.0 17.8 1.0
O A:ALA10 4.0 17.7 1.0
O A:HOH317 4.1 25.2 1.0
C A:ALA10 4.1 17.6 1.0
CD A:ARG14 4.3 25.9 1.0
N A:ALA11 4.3 16.8 1.0
NE A:ARG14 4.4 26.4 1.0
CB A:ARG14 4.5 20.9 1.0
CA A:ALA11 4.5 14.5 1.0
CA A:ALA10 4.7 17.6 1.0
BR2 A:6BP201 5.0 25.5 0.5

Bromine binding site 4 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 4 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:26.1
occ:0.47
 BR4 A:6BP201 0.0 26.1 0.5
PT A:6BP201 2.4 19.7 0.5
NE A:ARG14 3.2 26.4 1.0
O A:HOH379 3.3 25.6 1.0
BR2 A:6BP201 3.4 25.5 0.5
BR1 A:6BP201 3.5 18.5 0.5
NH2 A:ARG14 3.5 29.8 1.0
BR3 A:6BP201 3.5 22.6 0.5
CB A:ALA11 3.7 14.0 1.0
CA A:ALA11 3.7 14.5 1.0
CZ A:ARG14 3.8 27.3 1.0
CE1 A:HIS15 3.9 22.9 1.0
CL A:CL207 4.0 25.4 0.6
CD A:ARG14 4.2 25.9 1.0
ND1 A:HIS15 4.3 24.3 1.0
N A:ALA11 4.5 16.8 1.0
CB A:ARG14 4.5 20.9 1.0
O A:ALA11 4.6 16.1 1.0
C A:ALA11 4.7 15.9 1.0
CG A:ARG14 4.9 24.8 1.0
NE2 A:HIS15 5.0 24.6 1.0

Bromine binding site 5 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 5 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:24.7
occ:0.52
 BR1 A:6BP202 0.0 24.7 0.5
PT A:6BP202 2.5 17.4 0.5
BR4 A:6BP202 3.4 19.3 0.5
BR3 A:6BP202 3.4 24.8 0.5
BR5 A:6BP202 3.4 24.0 0.5
BR2 A:6BP202 3.5 18.5 0.5
O A:HOH338 3.6 23.5 1.0
CA A:LYS1 3.7 17.0 1.0
CB A:LYS1 3.8 17.4 1.0
O A:HOH413 3.9 34.4 1.0
O A:HOH320 4.0 19.5 1.0
CG A:LYS1 4.0 17.8 1.0
OG A:SER86 4.1 22.6 1.0
N A:LYS1 4.4 15.4 1.0
CD A:LYS1 4.6 19.6 1.0
BR6 A:6BP202 4.9 20.7 0.5
O A:HOH327 4.9 37.1 1.0

Bromine binding site 6 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 6 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:18.5
occ:0.52
 BR2 A:6BP202 0.0 18.5 0.5
PT A:6BP202 2.5 17.4 0.5
O A:HOH338 3.4 23.5 1.0
BR5 A:6BP202 3.4 24.0 0.5
BR4 A:6BP202 3.4 19.3 0.5
BR1 A:6BP202 3.5 24.7 0.5
BR6 A:6BP202 3.5 20.7 0.5
BR3 A:6BP202 4.9 24.8 0.5

Bromine binding site 7 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 7 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:24.8
occ:0.52
 BR3 A:6BP202 0.0 24.8 0.5
PT A:6BP202 2.4 17.4 0.5
O A:HOH320 3.3 19.5 1.0
BR4 A:6BP202 3.3 19.3 0.5
BR6 A:6BP202 3.4 20.7 0.5
BR1 A:6BP202 3.4 24.7 0.5
BR5 A:6BP202 3.4 24.0 0.5
OG A:SER86 4.3 22.6 1.0
BR2 A:6BP202 4.9 18.5 0.5

Bromine binding site 8 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 8 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:19.3
occ:0.52
 BR4 A:6BP202 0.0 19.3 0.5
PT A:6BP202 2.3 17.4 0.5
O A:HOH320 3.2 19.5 1.0
OE1 A:GLN41 3.3 20.0 1.0
BR3 A:6BP202 3.3 24.8 0.5
BR6 A:6BP202 3.3 20.7 0.5
N A:LYS1 3.4 15.4 1.0
BR1 A:6BP202 3.4 24.7 0.5
BR2 A:6BP202 3.4 18.5 0.5
O A:HOH325 3.5 16.4 1.0
CA A:LYS1 3.7 17.0 1.0
CD A:GLN41 4.3 19.6 1.0
O A:HOH338 4.5 23.5 1.0
BR5 A:6BP202 4.7 24.0 0.5
CB A:LYS1 4.8 17.4 1.0
C A:LYS1 4.8 16.5 1.0
CG A:GLN41 5.0 14.5 1.0

Bromine binding site 9 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 9 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:24.0
occ:0.52
 BR5 A:6BP202 0.0 24.0 0.5
PT A:6BP202 2.4 17.4 0.5
BR2 A:6BP202 3.4 18.5 0.5
BR1 A:6BP202 3.4 24.7 0.5
BR3 A:6BP202 3.4 24.8 0.5
BR6 A:6BP202 3.4 20.7 0.5
BR4 A:6BP202 4.7 19.3 0.5

Bromine binding site 10 out of 12 in 4owh

Go back to Bromine Binding Sites List in 4owh
Bromine binding site 10 out of 12 in the PTBR6 Binding to Hewl


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of PTBR6 Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:20.7
occ:0.52
 BR6 A:6BP202 0.0 20.7 0.5
PT A:6BP202 2.4 17.4 0.5
BR4 A:6BP202 3.3 19.3 0.5
BR3 A:6BP202 3.4 24.8 0.5
BR5 A:6BP202 3.4 24.0 0.5
BR2 A:6BP202 3.5 18.5 0.5
BR1 A:6BP202 4.9 24.7 0.5

Reference:

S.W.Tanley, L.V.Starkey, L.Lamplough, S.Kaenket, J.R.Helliwell. The Binding of Platinum Hexahalides (Cl, Br and I) to Hen Egg-White Lysozyme and the Chemical Transformation of the PTI6 Octahedral Complex to A PTI3 Moiety Bound to HIS15. Acta Crystallogr.,Sect.F V. 70 1132 2014.
ISSN: ESSN 2053-230X
PubMed: 25195880
DOI: 10.1107/S2053230X14014009
Page generated: Wed Jul 10 22:12:14 2024

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