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Bromine in PDB 4nsg: Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A

Enzymatic activity of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A

All present enzymatic activity of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A:
3.2.1.17;

Protein crystallography data

The structure of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A, PDB code: 4nsg was solved by S.W.M.Tanley, K.Diederichs, L.M.J.Kroon-Batenburg, C.Levy, A.M.M.Schreurs, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.42 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.377, 78.377, 37.213, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 27.1

Other elements in 4nsg:

The structure of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A also contains other interesting chemical elements:

Platinum (Pt) 2 atoms
Sodium (Na) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A (pdb code 4nsg). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A, PDB code: 4nsg:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Bromine binding site 1 out of 9 in 4nsg

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Bromine binding site 1 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:11.3
occ:0.44
 PT1 A:QPT221 2.3 43.3 0.3
N A:ILE88 3.6 12.7 1.0
O A:HOH343 3.6 18.1 1.0
CG1 A:ILE88 3.7 12.7 1.0
NE2 A:HIS15 3.9 15.9 1.0
CA A:ASP87 4.0 12.9 1.0
O A:SER86 4.1 12.6 1.0
CB A:ALA11 4.1 12.0 1.0
NH1 A:ARG14 4.3 17.8 1.0
CZ A:PHE3 4.3 14.3 1.0
C A:ASP87 4.3 12.9 1.0
CG2 A:ILE88 4.4 12.7 1.0
OD1 A:ASP87 4.4 13.5 1.0
CB A:ILE88 4.4 12.6 1.0
CG A:ASP87 4.5 13.4 1.0
CD2 A:HIS15 4.5 15.9 1.0
CD1 A:ILE88 4.5 12.7 1.0
CA A:ILE88 4.5 12.7 1.0
CE2 A:PHE3 4.7 14.3 1.0
CB A:ASP87 4.8 13.2 1.0
OD2 A:ASP87 4.8 13.8 1.0
CE1 A:HIS15 4.9 16.0 1.0
C A:SER86 5.0 12.5 1.0
N A:ASP87 5.0 12.6 1.0

Bromine binding site 2 out of 9 in 4nsg

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Bromine binding site 2 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:46.2
occ:1.00
 BR A:BR209 2.5 20.7 0.4
ND2 A:ASN74 3.2 14.8 1.0
C A:ILE78 3.6 13.2 1.0
N A:PRO79 3.6 12.7 1.0
CD A:PRO79 3.8 12.6 1.0
O A:ILE78 3.9 13.3 1.0
CA A:ILE78 4.0 13.6 1.0
N A:ILE78 4.1 13.7 1.0
CG A:PRO79 4.2 12.6 1.0
C A:ASN77 4.2 14.1 1.0
O A:ASN77 4.3 14.0 1.0
CA A:PRO79 4.3 12.4 1.0
CB A:ASN65 4.4 11.7 1.0
CG A:ASN74 4.5 14.8 1.0
CB A:PRO79 4.8 12.4 1.0
ND2 A:ASN65 4.8 12.0 1.0

Bromine binding site 3 out of 9 in 4nsg

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Bromine binding site 3 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br203

b:18.5
occ:0.95
 PT1 A:QPT220 2.5 18.4 0.9
ND1 A:HIS15 3.1 16.1 1.0
CB A:HIS15 3.6 16.0 1.0
CG A:HIS15 3.7 16.0 1.0
OD1 A:ASN93 3.7 14.5 1.0
CG1 A:VAL92 3.8 12.5 1.0
CG2 A:THR89 3.8 12.5 1.0
O A:THR89 3.8 12.0 1.0
CB A:VAL92 3.9 12.4 1.0
CG A:ASN93 4.0 14.0 1.0
CE1 A:HIS15 4.1 16.0 1.0
O A:HIS15 4.1 16.4 1.0
ND2 A:ASN93 4.2 14.2 1.0
CA A:THR89 4.2 12.4 1.0
O A:HOH311 4.2 24.5 1.0
N A:ASN93 4.4 13.0 1.0
CA A:HIS15 4.4 16.0 1.0
NZ A:LYS96 4.4 12.9 1.0
C A:THR89 4.4 12.2 1.0
CB A:THR89 4.5 12.5 1.0
C A:HIS15 4.7 16.2 1.0
OG1 A:THR89 4.7 12.6 1.0
CG2 A:VAL92 4.8 12.5 1.0
CD2 A:HIS15 4.8 15.9 1.0
C A:VAL92 4.9 12.6 1.0
CA A:ASN93 4.9 13.2 1.0
BR A:BR204 4.9 22.1 0.9
CB A:ASN93 5.0 13.7 1.0
CA A:VAL92 5.0 12.4 1.0

Bromine binding site 4 out of 9 in 4nsg

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Bromine binding site 4 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br204

b:22.1
occ:0.95
 PT1 A:QPT220 2.5 18.4 0.9
ND1 A:HIS15 3.4 16.1 1.0
O A:ARG14 3.7 15.8 1.0
CE1 A:HIS15 3.8 16.0 1.0
NE A:ARG14 3.8 17.1 1.0
NH2 A:ARG14 4.1 17.9 1.0
CG A:HIS15 4.1 16.0 1.0
CA A:HIS15 4.1 16.0 1.0
CZ A:ARG14 4.2 17.5 1.0
C A:ARG14 4.3 15.7 1.0
CG A:ARG14 4.4 16.3 1.0
N A:HIS15 4.5 15.8 1.0
NE2 A:HIS15 4.6 15.9 1.0
O A:HOH303 4.6 22.4 1.0
CB A:HIS15 4.6 16.0 1.0
CD A:ARG14 4.6 16.7 1.0
CD2 A:HIS15 4.8 15.9 1.0
BR A:BR203 4.9 18.5 0.9

Bromine binding site 5 out of 9 in 4nsg

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Bromine binding site 5 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br205

b:7.8
occ:0.70
 OH A:TYR23 3.1 11.3 1.0
CZ A:TYR23 3.8 11.4 1.0
CE2 A:TYR23 3.8 11.5 1.0
CA A:GLY104 4.0 12.6 1.0
N A:GLY104 4.6 13.0 1.0
O A:ARG21 4.6 14.7 1.0
CE1 A:TYR23 5.0 11.5 1.0

Bromine binding site 6 out of 9 in 4nsg

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Bromine binding site 6 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br206

b:13.5
occ:0.79
 OG A:SER24 3.2 11.2 1.0
N A:GLY26 3.3 10.8 1.0
CB A:SER24 3.5 11.4 1.0
CA A:GLY26 3.5 10.6 1.0
CA A:GLN121 3.7 16.0 1.0
CD1 A:ILE124 3.8 17.3 1.0
N A:GLN121 4.1 15.5 1.0
CG2 A:VAL120 4.1 14.7 1.0
O A:VAL120 4.3 15.2 1.0
C A:VAL120 4.3 15.1 1.0
CG1 A:ILE124 4.3 17.3 1.0
CB A:GLN121 4.3 16.5 1.0
N A:LEU25 4.3 11.2 1.0
CG A:GLN121 4.5 17.1 1.0
C A:SER24 4.5 11.3 1.0
C A:LEU25 4.5 11.0 1.0
C A:GLY26 4.6 10.4 1.0
CA A:SER24 4.6 11.4 1.0
N A:ASN27 4.8 10.2 1.0
CA A:LEU25 4.9 11.1 1.0
C A:GLN121 4.9 15.8 1.0
CB A:VAL120 4.9 14.7 1.0
O A:SER24 5.0 11.3 1.0

Bromine binding site 7 out of 9 in 4nsg

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Bromine binding site 7 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br207

b:18.4
occ:0.78
 O A:HOH320 3.1 10.9 1.0
N A:THR69 3.3 13.9 1.0
CH3 A:ACT218 3.5 11.4 0.6
OXT A:ACT218 3.5 11.2 0.6
CA A:GLY67 3.5 12.4 1.0
O A:THR69 3.5 13.9 1.0
C A:GLY67 3.5 12.7 1.0
N A:ARG68 3.6 13.3 1.0
OG A:SER72 3.7 15.1 1.0
N A:GLY67 3.7 12.0 1.0
OD1 A:ASN65 3.8 11.7 1.0
C A:ACT218 3.8 11.3 0.6
C A:THR69 3.8 14.1 1.0
CA A:THR69 4.0 14.0 1.0
O A:GLY67 4.2 12.8 1.0
O A:HOH332 4.2 17.9 1.0
C A:ARG68 4.3 13.7 1.0
CA A:ARG68 4.4 13.7 1.0
CB A:THR69 4.4 13.9 1.0
OD1 A:ASP66 4.5 11.3 1.0
N A:PRO70 4.6 14.4 1.0
O A:HOH351 4.7 12.2 0.5
NA A:NA210 4.8 10.7 0.8
O A:ACT218 4.8 11.3 0.6
C A:ASP66 4.9 11.8 1.0
CG A:ASN65 4.9 11.8 1.0
CB A:SER72 5.0 15.3 1.0

Bromine binding site 8 out of 9 in 4nsg

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Bromine binding site 8 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br208

b:16.5
occ:0.61
 CE2 A:PHE38 3.8 10.6 1.0
CZ3 A:TRP123 3.9 15.9 1.0
NZ A:LYS33 4.0 9.3 1.0
CD A:ARG5 4.1 14.6 1.0
CE A:LYS33 4.1 9.3 1.0
O A:HOH353 4.2 18.7 1.0
CD A:LYS33 4.3 9.3 1.0
CB A:ARG5 4.4 14.7 1.0
O A:DMS211 4.4 17.1 0.5
CG A:ARG5 4.6 14.7 1.0
CZ A:PHE38 4.6 10.6 1.0
CE3 A:TRP123 4.6 16.1 1.0
CD2 A:PHE38 4.7 10.6 1.0
NE A:ARG5 4.7 14.6 1.0
CH2 A:TRP123 4.8 15.9 1.0

Bromine binding site 9 out of 9 in 4nsg

Go back to Bromine Binding Sites List in 4nsg
Bromine binding site 9 out of 9 in the Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Carboplatin Binding to Hewl in Nabr Crystallisation Conditions Studied at An X-Ray Wavelength of 1.5418A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br209

b:20.7
occ:0.42
 BR A:BR202 2.5 46.2 1.0
ND2 A:ASN65 3.2 12.0 1.0
OXT A:ACT216 3.5 24.2 0.9
CG A:PRO79 3.7 12.6 1.0
CA A:PRO79 3.8 12.4 1.0
CB A:PRO79 3.9 12.4 1.0
N A:PRO79 4.0 12.7 1.0
CB A:ASN65 4.0 11.7 1.0
CG A:ASN65 4.1 11.8 1.0
CD A:PRO79 4.2 12.6 1.0
C A:ACT216 4.3 24.3 0.9
CH3 A:ACT216 4.5 24.6 0.9
O A:ASN65 4.5 11.4 1.0
C A:ILE78 4.6 13.2 1.0
O A:ILE78 4.8 13.3 1.0
ND2 A:ASN74 4.9 14.8 1.0

Reference:

S.W.Tanley, K.Diederichs, L.M.Kroon-Batenburg, C.Levy, A.M.Schreurs, J.R.Helliwell. Carboplatin Binding to Histidine. Acta Crystallogr F Struct V. 70 1135 2014BIOL Commun.
PubMed: 25195881
DOI: 10.1107/S2053230X14016161
Page generated: Wed Jul 10 22:10:07 2024

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