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Bromine in PDB 3gt3: Structure of Proteinase K with the Mad Triangle B3C

Enzymatic activity of Structure of Proteinase K with the Mad Triangle B3C

All present enzymatic activity of Structure of Proteinase K with the Mad Triangle B3C:
3.4.21.64;

Protein crystallography data

The structure of Structure of Proteinase K with the Mad Triangle B3C, PDB code: 3gt3 was solved by T.Beck, T.Gruene, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.00 / 1.50
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.840, 67.840, 101.770, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 18.4

Bromine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Bromine atom in the Structure of Proteinase K with the Mad Triangle B3C (pdb code 3gt3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Structure of Proteinase K with the Mad Triangle B3C, PDB code: 3gt3:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in 3gt3

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Bromine binding site 1 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:15.8
occ:0.21
 BR1 A:BRV301 0.0 15.8 0.2
O A:HOH305 1.5 23.7 0.9
O A:HOH304 1.9 23.7 0.9
C2 A:BRV301 1.9 15.8 0.2
C3 A:BRV301 2.8 15.8 0.2
C1 A:BRV301 2.9 15.8 0.2
O A:HOH303 3.0 23.7 0.9
OG1 A:THR244 3.0 13.7 1.0
C10 A:BRV301 3.0 15.8 0.2
O8 A:BRV301 3.1 15.8 0.2
OG A:SER247 3.2 16.2 1.0
C7 A:BRV301 3.2 15.8 0.2
CB A:SER247 3.3 12.5 1.0
O12 A:BRV301 3.4 15.8 0.2
O11 A:BRV301 3.6 15.8 0.2
O A:HOH302 3.6 23.7 0.9
O9 A:BRV301 4.1 15.8 0.2
N A:SER247 4.1 12.2 1.0
C4 A:BRV301 4.1 15.8 0.2
C6 A:BRV301 4.2 15.8 0.2
CG2 A:THR244 4.2 16.2 1.0
CB A:THR244 4.2 13.3 1.0
CB A:ALA246 4.2 11.1 1.0
CA A:SER247 4.3 11.0 1.0
O A:HOH680 4.5 48.6 1.0
C A:ALA246 4.6 13.6 1.0
C5 A:BRV301 4.7 15.8 0.2
O A:HOH306 4.9 23.7 0.9
CA A:ALA246 4.9 10.9 1.0

Bromine binding site 2 out of 12 in 3gt3

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Bromine binding site 2 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:15.8
occ:0.05
 BR2 A:BRV301 0.0 15.8 0.1
O A:HOH306 0.8 23.7 0.9
C4 A:BRV301 1.9 15.8 0.2
C5 A:BRV301 2.8 15.8 0.2
C3 A:BRV301 2.8 15.8 0.2
N13 A:BRV301 3.1 15.8 0.2
C10 A:BRV301 3.1 15.8 0.2
O11 A:BRV301 3.5 15.8 0.2
O A:HOH303 3.6 23.7 0.9
O12 A:BRV301 3.7 15.8 0.2
C6 A:BRV301 4.1 15.8 0.2
C2 A:BRV301 4.2 15.8 0.2
O A:HOH304 4.5 23.7 0.9
C1 A:BRV301 4.7 15.8 0.2

Bromine binding site 3 out of 12 in 3gt3

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Bromine binding site 3 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:15.8
occ:0.13
 BR3 A:BRV301 0.0 15.8 0.1
O A:HOH307 1.5 23.7 0.9
C6 A:BRV301 1.9 15.8 0.2
O A:HOH302 2.5 23.7 0.9
C5 A:BRV301 2.8 15.8 0.2
C1 A:BRV301 2.9 15.8 0.2
N13 A:BRV301 3.0 15.8 0.2
O9 A:BRV301 3.1 15.8 0.2
C7 A:BRV301 3.1 15.8 0.2
O8 A:BRV301 4.1 15.8 0.2
C4 A:BRV301 4.1 15.8 0.2
C2 A:BRV301 4.2 15.8 0.2
O A:HOH671 4.6 33.1 1.0
O A:HOH305 4.6 23.7 0.9
C3 A:BRV301 4.6 15.8 0.2

Bromine binding site 4 out of 12 in 3gt3

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Bromine binding site 4 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br308

b:15.8
occ:0.41
 BR1 A:BRV308 0.0 15.8 0.4
C2 A:BRV308 1.9 15.8 0.5
C1 A:BRV308 2.9 15.8 0.5
C3 A:BRV308 2.9 15.8 0.5
C7 A:BRV308 3.2 15.8 0.5
C10 A:BRV308 3.2 15.8 0.5
O8 A:BRV308 3.5 15.8 0.5
O12 A:BRV308 3.5 15.8 0.5
O9 A:BRV308 3.8 15.8 0.5
O11 A:BRV308 3.8 15.8 0.5
C6 A:BRV308 4.2 15.8 0.5
C4 A:BRV308 4.2 15.8 0.5
O A:HOH740 4.4 44.5 1.0
O A:HOH521 4.5 26.2 1.0
C5 A:BRV308 4.7 15.8 0.5

Bromine binding site 5 out of 12 in 3gt3

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Bromine binding site 5 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br308

b:15.8
occ:0.39
 BR2 A:BRV308 0.0 15.8 0.4
C4 A:BRV308 1.9 15.8 0.5
C3 A:BRV308 2.8 15.8 0.5
O A:HOH776 2.9 49.4 1.0
C5 A:BRV308 2.9 15.8 0.5
C10 A:BRV308 3.0 15.8 0.5
N13 A:BRV308 3.1 15.8 0.5
O11 A:BRV308 3.3 15.8 0.5
O12 A:BRV308 3.6 15.8 0.5
N A:GLY259 3.7 10.3 1.0
CA A:GLY259 3.8 10.6 1.0
O A:HOH685 4.0 26.3 1.0
C2 A:BRV308 4.1 15.8 0.5
C6 A:BRV308 4.1 15.8 0.5
C A:LYS258 4.2 10.8 1.0
CB A:LYS258 4.2 13.9 1.0
O A:HOH663 4.3 18.7 1.0
O A:ASN270 4.5 10.4 1.0
CA A:LYS258 4.6 12.5 1.0
C1 A:BRV308 4.7 15.8 0.5
O A:LYS258 4.7 13.7 1.0
CB A:ASN270 4.8 9.1 1.0
O A:HOH724 4.8 32.1 1.0
O A:HOH728 4.9 51.7 1.0

Bromine binding site 6 out of 12 in 3gt3

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Bromine binding site 6 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br308

b:15.8
occ:0.46
 BR3 A:BRV308 0.0 15.8 0.5
C6 A:BRV308 1.9 15.8 0.5
C1 A:BRV308 2.8 15.8 0.5
C5 A:BRV308 2.8 15.8 0.5
C7 A:BRV308 3.0 15.8 0.5
N13 A:BRV308 3.1 15.8 0.5
O9 A:BRV308 3.3 15.8 0.5
O8 A:BRV308 3.6 15.8 0.5
O A:HOH712 4.0 34.3 1.0
C4 A:BRV308 4.1 15.8 0.5
C2 A:BRV308 4.1 15.8 0.5
O A:HOH728 4.3 51.7 1.0
C3 A:BRV308 4.7 15.8 0.5
O A:HOH724 4.9 32.1 1.0

Bromine binding site 7 out of 12 in 3gt3

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Bromine binding site 7 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br310

b:15.8
occ:0.10
 BR1 A:BRV310 0.0 15.8 0.1
C2 A:BRV310 1.9 15.8 0.2
ND2 A:ASN161 2.2 39.6 0.5
O3 A:SO4311 2.5 17.4 0.5
C1 A:BRV310 2.8 15.8 0.2
C3 A:BRV310 2.9 15.8 0.2
C7 A:BRV310 3.1 15.8 0.2
O1 A:SO4311 3.1 17.4 0.5
C10 A:BRV310 3.1 15.8 0.2
O12 A:BRV310 3.2 15.8 0.2
O A:HOH316 3.2 27.6 0.3
O9 A:BRV310 3.3 15.8 0.2
S A:SO4311 3.3 13.4 0.5
O A:HOH496 3.4 18.9 1.0
O A:HOH624 3.4 27.1 1.0
ND2 A:ASN161 3.5 21.6 0.5
CG A:ASN161 3.5 18.6 0.5
O A:SER221 3.8 11.8 1.0
O8 A:BRV310 3.8 15.8 0.2
O A:HOH315 3.9 27.6 0.5
O11 A:BRV310 3.9 15.8 0.2
CG A:ASN161 4.1 12.1 0.5
C6 A:BRV310 4.1 15.8 0.2
O2 A:SO4311 4.2 17.4 0.5
C4 A:BRV310 4.2 15.8 0.2
CB A:ASN161 4.2 11.2 0.5
CB A:ASN161 4.2 11.5 0.5
CA A:GLY222 4.3 10.4 1.0
OD1 A:ASN161 4.4 14.7 0.5
O4 A:SO4311 4.5 17.4 0.5
C5 A:BRV310 4.7 15.8 0.2
C A:SER221 4.8 9.0 1.0
O A:HOH313 4.8 23.7 0.5
OD1 A:ASN161 5.0 15.8 0.5

Bromine binding site 8 out of 12 in 3gt3

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Bromine binding site 8 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br310

b:15.8
occ:0.07
 BR2 A:BRV310 0.0 15.8 0.1
C4 A:BRV310 1.9 15.8 0.2
O A:HOH789 2.5 49.3 1.0
C5 A:BRV310 2.8 15.8 0.2
C3 A:BRV310 2.9 15.8 0.2
N13 A:BRV310 3.0 15.8 0.2
C10 A:BRV310 3.2 15.8 0.2
O11 A:BRV310 3.4 15.8 0.2
O A:HOH314 3.5 27.6 0.5
O A:HOH313 3.8 23.7 0.5
O12 A:BRV310 3.9 15.8 0.2
C6 A:BRV310 4.1 15.8 0.2
C2 A:BRV310 4.2 15.8 0.2
O A:HOH697 4.3 23.9 1.0
O A:HOH315 4.6 27.6 0.5
OD1 A:ASN161 4.6 15.8 0.5
O A:HOH730 4.6 45.4 1.0
C1 A:BRV310 4.7 15.8 0.2
O A:HOH509 4.7 22.9 1.0
O3 A:SO4311 4.8 17.4 0.5

Bromine binding site 9 out of 12 in 3gt3

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Bromine binding site 9 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br310

b:15.8
occ:0.09
 BR3 A:BRV310 0.0 15.8 0.1
O A:HOH312 1.3 23.7 0.5
O4 A:SO4311 1.3 17.4 0.5
C6 A:BRV310 1.9 15.8 0.2
S A:SO4311 2.7 13.4 0.5
C5 A:BRV310 2.8 15.8 0.2
O A:HOH632 2.8 38.3 1.0
C1 A:BRV310 2.9 15.8 0.2
N13 A:BRV310 3.0 15.8 0.2
C7 A:BRV310 3.1 15.8 0.2
O2 A:SO4311 3.2 17.4 0.5
O8 A:BRV310 3.2 15.8 0.2
O A:HOH313 3.3 23.7 0.5
O3 A:SO4311 3.4 17.4 0.5
O A:HOH314 3.4 27.6 0.5
O A:HOH697 3.5 23.9 1.0
OG1 A:THR223 3.6 10.3 1.0
OG A:SER224 3.7 12.4 1.0
O1 A:SO4311 3.7 17.4 0.5
O A:HOH316 3.7 27.6 0.3
CB A:ALA158 3.8 10.4 1.0
O9 A:BRV310 3.8 15.8 0.2
CA A:GLY160 4.1 9.7 1.0
C4 A:BRV310 4.1 15.8 0.2
C2 A:BRV310 4.2 15.8 0.2
N A:LEU133 4.4 9.6 1.0
C A:LEU133 4.4 10.1 1.0
OD1 A:ASN161 4.5 14.7 0.5
N A:SER224 4.5 9.1 1.0
CA A:LEU133 4.5 9.2 1.0
N A:GLY160 4.5 9.3 1.0
C A:SER132 4.6 10.4 1.0
CG A:ASN161 4.6 18.6 0.5
C3 A:BRV310 4.7 15.8 0.2
O A:LEU133 4.7 10.8 1.0
O A:SER132 4.7 11.3 1.0
ND2 A:ASN161 4.8 39.6 0.5
CB A:SER224 4.8 10.6 1.0
N A:GLY134 4.8 11.9 1.0
O A:HOH476 4.8 15.7 1.0
C A:GLY160 4.9 9.1 1.0
CA A:SER224 4.9 11.1 1.0
O A:HOH677 4.9 27.5 1.0
N A:ASN161 4.9 9.7 1.0
CB A:THR223 5.0 9.5 1.0

Bromine binding site 10 out of 12 in 3gt3

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Bromine binding site 10 out of 12 in the Structure of Proteinase K with the Mad Triangle B3C


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of Proteinase K with the Mad Triangle B3C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br317

b:15.8
occ:0.08
 BR1 A:BRV317 0.0 15.8 0.1
C2 A:BRV317 1.9 15.8 0.1
C3 A:BRV317 2.8 15.8 0.1
C1 A:BRV317 2.9 15.8 0.1
C10 A:BRV317 3.1 15.8 0.1
O11 A:BRV317 3.1 15.8 0.1
C7 A:BRV317 3.2 15.8 0.1
O9 A:BRV317 3.3 15.8 0.1
O12 A:BRV317 3.9 15.8 0.1
O8 A:BRV317 3.9 15.8 0.1
O A:HOH763 4.0 34.2 1.0
C4 A:BRV317 4.1 15.8 0.1
C6 A:BRV317 4.2 15.8 0.1
C5 A:BRV317 4.7 15.8 0.1

Reference:

T.Beck, T.Gruene, G.M.Sheldrick. The Magic Triangle Goes Mad: Experimental Phasing with A Bromine Derivative Acta Crystallogr.,Sect.D V. 66 374 2010.
ISSN: ISSN 0907-4449
PubMed: 20382990
DOI: 10.1107/S0907444909051609
Page generated: Wed Jul 10 19:35:43 2024

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