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Bromine in PDB 1l0z: The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil

Enzymatic activity of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil

All present enzymatic activity of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil:
3.4.21.36;

Protein crystallography data

The structure of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil, PDB code: 1l0z was solved by P.A.Tucker, S.Panjikar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.500, 57.700, 73.600, 90.00, 90.00, 90.00
R / Rfree (%) 16.6 / 20.9

Other elements in 1l0z:

The structure of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil also contains other interesting chemical elements:

Xenon (Xe) 1 atom
Sodium (Na) 1 atom

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 34;

Binding sites:

The binding sites of Bromine atom in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil (pdb code 1l0z). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 34 binding sites of Bromine where determined in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil, PDB code: 1l0z:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 34 in 1l0z

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Bromine binding site 1 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br262

b:14.6
occ:0.86
 O A:HOH368 3.0 22.1 1.0
OG A:SER14 3.1 11.6 1.0
O A:HOH394 3.3 25.4 1.0
N A:SER14 3.4 10.2 1.0
CD A:PRO13 3.6 10.7 1.0
CA A:TRP12 3.6 11.2 1.0
C A:TRP12 3.7 12.1 1.0
N A:PRO13 3.7 13.1 1.0
CB A:SER14 3.7 11.4 1.0
O A:HOH312 3.8 15.0 1.0
CE1 A:HIS193 3.9 11.5 1.0
O A:HOH398 4.0 25.8 1.0
CA A:SER14 4.1 10.5 1.0
CB A:TRP12 4.2 12.9 1.0
ND1 A:HIS193 4.2 11.6 1.0
CE3 A:TRP12 4.2 10.6 1.0
CG A:PRO13 4.3 10.1 1.0
O A:TRP12 4.3 9.7 1.0
C A:PRO13 4.4 11.3 1.0
O A:SER11 4.6 14.2 1.0
CA A:PRO13 4.6 11.6 1.0
O A:HOH342 4.7 19.0 1.0
N A:GLN15 4.8 9.5 1.0
C A:SER14 4.9 10.6 1.0
O A:HOH409 4.9 30.1 1.0
N A:TRP12 4.9 12.9 1.0
O A:HOH495 5.0 30.2 1.0

Bromine binding site 2 out of 34 in 1l0z

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Bromine binding site 2 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br263

b:20.7
occ:0.75
 O A:HOH468 3.0 26.3 1.0
NH1 A:ARG225 3.4 13.7 1.0
NH2 A:ARG225 3.5 16.2 1.0
CA A:GLY118 3.8 12.2 1.0
CZ A:ARG225 3.9 13.8 1.0
CA A:ALA228 3.9 11.3 1.0
O A:HOH338 4.1 17.7 1.0
O A:SER227 4.2 13.3 1.0
CB A:ALA228 4.2 12.4 1.0
N A:GLY118 4.4 12.7 1.0
N A:ALA228 4.6 12.6 1.0
O A:HOH489 4.7 29.6 1.0
C A:SER227 4.7 13.6 1.0
O A:HOH484 4.7 28.9 1.0
BR A:BR273 4.8 24.4 0.4
C A:GLY118 4.9 14.2 1.0
C A:ALA228 5.0 13.9 1.0
O A:GLY118 5.0 15.4 1.0

Bromine binding site 3 out of 34 in 1l0z

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Bromine binding site 3 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br264

b:27.3
occ:0.44
 O A:HOH432 3.6 38.0 1.0
CD A:ARG218 3.6 25.4 1.0
CG2 A:THR217 3.7 22.0 1.0
CG A:ARG218 3.8 15.4 1.0
NE A:ARG218 4.0 31.2 1.0
CB A:THR217 4.1 22.1 1.0
O A:HOH415 4.3 31.6 1.0
O A:THR217 4.4 21.0 1.0
CB A:ARG218 4.4 16.2 1.0
C A:THR217 4.5 17.7 1.0
N A:ARG218 5.0 17.1 1.0
CZ A:ARG218 5.0 28.6 1.0
CA A:THR217 5.0 16.4 1.0

Bromine binding site 4 out of 34 in 1l0z

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Bromine binding site 4 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br265

b:25.1
occ:0.50
 O A:HOH508 3.0 32.3 1.0
N A:GLN37 3.4 14.4 1.0
CA A:ARG36 3.8 11.8 1.0
CD1 A:LEU111 3.9 12.7 1.0
CD A:ARG36 3.9 15.1 1.0
CB A:ARG36 3.9 14.0 1.0
CG A:GLN37 4.0 17.0 1.0
C A:ARG36 4.1 12.8 1.0
NE2 A:GLN37 4.2 45.6 1.0
CB A:GLN37 4.3 21.0 1.0
CA A:GLN37 4.5 13.3 1.0
CG A:ARG36 4.6 16.1 1.0
CD A:GLN37 4.6 33.0 1.0
BR A:BR282 4.7 30.0 0.3
CD2 A:LEU111 4.9 12.9 1.0
CG A:LEU111 5.0 13.4 1.0

Bromine binding site 5 out of 34 in 1l0z

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Bromine binding site 5 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br266

b:15.2
occ:0.49
 O A:HOH307 3.0 14.1 1.0
O A:HOH331 3.0 17.0 1.0
O A:HOH371 3.2 22.6 1.0
N A:LEU121 3.3 12.3 1.0
CG2 A:VAL173 3.7 16.1 1.0
CG1 A:VAL173 3.9 12.2 1.0
CA A:ILE120 3.9 12.4 1.0
CD A:ARG225 3.9 13.9 1.0
CG2 A:ILE120 3.9 12.8 1.0
CB A:LEU121 4.0 16.0 1.0
C A:ILE120 4.1 13.2 1.0
CG A:LEU121 4.2 17.5 1.0
CA A:LEU121 4.3 12.9 1.0
CB A:VAL173 4.3 12.7 1.0
CD1 A:LEU121 4.4 16.4 1.0
CB A:ILE120 4.5 14.6 1.0
O A:THR119 4.6 13.6 1.0
O A:LEU121 4.6 14.1 1.0
CD1 A:ILE120 4.6 22.0 1.0
CG A:ARG225 4.7 9.7 1.0
CA A:VAL173 4.8 10.0 1.0
O A:HOH322 4.9 16.0 1.0
C A:LEU121 4.9 11.3 1.0
O A:HOH305 5.0 14.0 1.0
NE A:ARG225 5.0 14.9 1.0

Bromine binding site 6 out of 34 in 1l0z

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Bromine binding site 6 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br267

b:26.4
occ:0.24
 BR A:BR267 0.0 26.4 0.2
BR A:BR267 1.3 27.0 0.4
O A:HOH531 3.4 35.8 1.0
CA A:PRO115 3.5 16.4 1.0
CB A:PRO115 3.6 17.6 1.0
CG2 A:VAL196 3.7 23.9 1.0
NE2 A:HIS203 3.8 19.4 1.0
CG1 A:VAL196 3.8 27.5 1.0
CE1 A:HIS203 3.8 13.3 1.0
CB A:VAL196 3.8 23.5 1.0
O A:HOH534 3.8 36.1 1.0
N A:ARG116 3.9 16.4 1.0
C A:PRO115 4.3 19.5 1.0
CB A:ALA201 4.3 14.8 1.0
CG2 A:THR119 4.4 24.6 1.0
OG1 A:THR119 4.6 29.4 1.0
N A:PRO115 4.7 12.2 1.0
CG A:PRO115 4.8 18.9 1.0
CB A:THR119 4.9 18.6 1.0
CG A:ARG116 4.9 27.3 1.0
ND1 A:HIS203 4.9 13.6 1.0
CD2 A:HIS203 5.0 14.1 1.0

Bromine binding site 7 out of 34 in 1l0z

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Bromine binding site 7 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br267

b:27.0
occ:0.38
 BR A:BR267 0.0 27.0 0.4
BR A:BR267 1.3 26.4 0.2
O A:HOH534 3.0 36.1 1.0
N A:ARG116 3.1 16.4 1.0
O A:HOH531 3.4 35.8 1.0
CA A:PRO115 3.6 16.4 1.0
CG A:ARG116 3.7 27.3 1.0
C A:PRO115 3.9 19.5 1.0
CB A:PRO115 3.9 17.6 1.0
OG1 A:THR119 4.0 29.4 1.0
CB A:ARG116 4.0 22.4 1.0
CA A:ARG116 4.1 19.3 1.0
CG1 A:VAL196 4.2 27.5 1.0
CG2 A:THR119 4.4 24.6 1.0
CB A:THR119 4.5 18.6 1.0
CB A:VAL196 4.6 23.5 1.0
CG2 A:VAL196 4.7 23.9 1.0
CE1 A:HIS203 4.8 13.3 1.0
CD A:ARG116 4.8 46.9 1.0
N A:PRO115 4.9 12.2 1.0
O A:ARG116 4.9 17.8 1.0
NE2 A:HIS203 5.0 19.4 1.0

Bromine binding site 8 out of 34 in 1l0z

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Bromine binding site 8 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br268

b:22.4
occ:0.62
 BR A:BR273 3.1 24.4 0.4
O A:HOH435 3.1 40.4 1.0
O A:HOH381 3.5 23.4 1.0
N A:SER171 3.6 12.6 1.0
O A:HOH535 3.6 36.3 1.0
N A:ASN170 3.9 16.1 1.0
CB A:SER171 4.0 11.3 1.0
OG A:SER171 4.0 14.4 1.0
CB A:LYS169 4.1 18.8 1.0
CB A:ASN170 4.1 21.7 1.0
C A:ASN170 4.1 16.1 1.0
CA A:ASN170 4.3 16.2 1.0
CA A:SER171 4.3 12.4 1.0
O A:HOH489 4.3 29.6 1.0
O A:HOH400 4.5 26.5 1.0
C A:LYS169 4.7 16.5 1.0
CA A:LYS169 4.9 15.3 1.0
O A:HOH483 5.0 28.7 1.0
CG A:LYS169 5.0 18.0 1.0

Bromine binding site 9 out of 34 in 1l0z

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Bromine binding site 9 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br269

b:33.5
occ:0.66
 O A:HOH434 3.1 39.6 1.0
N A:ILE77 3.3 14.3 1.0
O A:HOH478 3.4 28.1 1.0
O A:ILE77 4.0 19.5 1.0
CB A:ILE77 4.0 20.2 1.0
CA A:LYS76 4.0 18.2 1.0
CA A:ILE77 4.1 18.0 1.0
C A:LYS76 4.1 22.7 1.0
CG1 A:ILE77 4.3 27.0 1.0
O A:HOH592 4.4 50.8 1.0
C A:ILE77 4.5 16.3 1.0
CG A:LYS76 4.6 22.4 1.0
O A:GLN75 4.7 21.6 1.0
CB A:LYS76 4.8 20.7 1.0
CD1 A:ILE77 5.0 22.3 1.0

Bromine binding site 10 out of 34 in 1l0z

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Bromine binding site 10 out of 34 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Dry Paraffin Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br270

b:19.7
occ:0.28
 BR A:BR270 0.0 19.7 0.3
BR A:BR270 1.3 26.4 0.3
N A:GLY198 3.1 13.4 1.0
BR A:BR277 3.4 22.2 0.2
CA A:GLY198 3.5 13.7 1.0
CG A:LEU195 3.7 32.7 1.0
CD2 A:LEU195 4.0 22.8 1.0
CB A:LEU195 4.2 19.8 1.0
C A:ASN197 4.2 14.5 1.0
N A:ASN197 4.3 19.4 1.0
CA A:ASN197 4.5 21.1 1.0
C A:GLY198 4.6 11.9 1.0
CD1 A:LEU195 4.8 15.0 1.0
C A:VAL196 4.8 18.4 1.0
O A:HOH542 4.8 37.9 1.0
O A:HOH438 5.0 42.3 1.0
N A:VAL196 5.0 17.2 1.0
C A:LEU195 5.0 20.8 1.0

Reference:

S.Panjikar, P.A.Tucker. Xenon Derivatization of Halide-Soaked Protein Crystals. Acta Crystallogr.,Sect.D V. 58 1413 2002.
ISSN: ISSN 0907-4449
PubMed: 12198297
DOI: 10.1107/S0907444902011010
Page generated: Wed Jul 10 16:50:11 2024

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