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Bromine in PDB 1l1g: The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol

Enzymatic activity of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol

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

Protein crystallography data

The structure of The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol, PDB code: 1l1g was solved by S.Panjikar, P.A.Tucker, 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 (°) 50.280, 57.700, 74.110, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 21.5

Other elements in 1l1g:

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

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

Bromine Binding Sites:

The binding sites of Bromine atom in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol (pdb code 1l1g). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol, PDB code: 1l1g:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 1l1g

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Bromine binding site 1 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br262

b:16.8
occ:0.86
 OG A:SER14 3.1 10.7 1.0
O A:HOH368 3.2 26.1 1.0
O A:HOH394 3.4 29.8 1.0
N A:SER14 3.4 10.9 1.0
CD A:PRO13 3.5 13.2 1.0
C A:TRP12 3.5 11.3 1.0
CA A:TRP12 3.5 10.9 1.0
N A:PRO13 3.6 13.4 1.0
CB A:SER14 3.8 11.9 1.0
CE1 A:HIS193 3.9 9.7 1.0
O A:HOH312 3.9 17.0 1.0
CB A:TRP12 4.1 12.8 1.0
ND1 A:HIS193 4.1 11.1 1.0
O A:HOH398 4.1 18.9 1.0
CA A:SER14 4.1 10.6 1.0
O A:TRP12 4.2 11.1 1.0
CE3 A:TRP12 4.2 10.5 1.0
CG A:PRO13 4.3 11.2 1.0
C A:PRO13 4.4 9.7 1.0
O A:SER11 4.5 14.7 1.0
CA A:PRO13 4.5 11.7 1.0
O A:HOH342 4.6 17.4 1.0
N A:GLN15 4.7 9.3 1.0
C A:SER14 4.8 11.0 1.0
N A:TRP12 4.8 14.3 1.0
CD2 A:TRP12 4.9 9.1 1.0

Bromine binding site 2 out of 8 in 1l1g

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Bromine binding site 2 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br263

b:23.0
occ:0.69
 NH1 A:ARG225 3.3 12.1 1.0
NH2 A:ARG225 3.5 14.0 1.0
CZ A:ARG225 3.9 11.4 1.0
CA A:ALA228 3.9 13.4 1.0
CA A:GLY118 3.9 16.2 1.0
O A:SER227 4.1 14.2 1.0
CB A:ALA228 4.2 11.8 1.0
O A:HOH338 4.2 26.7 1.0
N A:GLY118 4.3 14.5 1.0
N A:ALA228 4.6 10.0 1.0
C A:SER227 4.7 12.6 1.0
C A:ALA228 4.8 15.9 1.0
C A:GLY118 4.9 10.0 1.0
O A:ALA228 4.9 16.9 1.0

Bromine binding site 3 out of 8 in 1l1g

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Bromine binding site 3 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br264

b:34.8
occ:0.59
 O A:HOH633 3.4 51.7 1.0
N A:SER102 3.5 17.8 1.0
O A:HOH419 3.8 35.4 1.0
CA A:GLN101 3.9 18.6 1.0
CB A:GLN101 4.0 28.0 1.0
CG A:GLN101 4.1 31.6 1.0
C A:GLN101 4.2 24.6 1.0
CB A:SER102 4.3 20.8 1.0
CA A:SER102 4.4 15.0 1.0
O A:SER102 4.5 20.6 1.0
OG A:SER102 4.9 25.2 1.0
C A:SER102 4.9 18.5 1.0
O A:ALA100 5.0 21.2 1.0

Bromine binding site 4 out of 8 in 1l1g

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Bromine binding site 4 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br265

b:24.8
occ:0.48
 N A:GLN37 3.3 14.9 1.0
CD A:ARG36 3.8 19.2 1.0
CA A:ARG36 3.9 12.1 1.0
CG A:GLN37 3.9 21.6 1.0
NE2 A:GLN37 3.9 30.9 1.0
CB A:ARG36 4.0 11.7 1.0
CD1 A:LEU111 4.0 19.5 1.0
C A:ARG36 4.0 14.8 1.0
CB A:GLN37 4.1 13.1 1.0
CA A:GLN37 4.3 12.8 1.0
CG A:ARG36 4.5 15.8 1.0
CD A:GLN37 4.5 28.1 1.0
O A:HOH421 4.6 32.2 1.0
NE A:ARG36 4.9 21.1 1.0
CD2 A:LEU111 5.0 13.3 1.0

Bromine binding site 5 out of 8 in 1l1g

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Bromine binding site 5 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br266

b:19.3
occ:0.55
 O A:HOH331 2.8 26.1 1.0
O A:HOH307 3.0 13.6 1.0
N A:LEU121 3.3 13.1 1.0
CG2 A:VAL173 3.5 20.4 1.0
CA A:ILE120 3.9 10.6 1.0
CB A:LEU121 3.9 21.3 1.0
CD A:ARG225 3.9 13.0 1.0
CD1 A:LEU121 4.0 21.7 1.0
CG A:LEU121 4.0 19.1 1.0
O A:HOH371 4.0 22.3 1.0
C A:ILE120 4.1 14.8 1.0
CG1 A:VAL173 4.1 16.4 1.0
CG2 A:ILE120 4.1 15.3 1.0
CA A:LEU121 4.2 11.7 1.0
CB A:VAL173 4.3 16.1 1.0
O A:THR119 4.5 14.4 1.0
CD1 A:ILE120 4.5 16.1 1.0
CB A:ILE120 4.5 13.8 1.0
O A:LEU121 4.6 15.1 1.0
O A:HOH322 4.6 22.3 1.0
CG A:ARG225 4.6 10.3 1.0
O A:HOH328 4.8 15.3 1.0
CA A:VAL173 4.9 11.6 1.0
C A:LEU121 4.9 10.8 1.0
N A:ILE120 5.0 11.9 1.0
NE A:ARG225 5.0 11.4 1.0

Bromine binding site 6 out of 8 in 1l1g

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Bromine binding site 6 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br267

b:33.5
occ:0.60
 O A:HOH1267 2.2 14.5 0.4
CD A:ARG116 3.1 48.8 1.0
N A:ARG116 3.2 17.6 1.0
CA A:PRO115 3.6 14.4 1.0
OG1 A:THR119 3.7 19.9 1.0
NH1 A:ARG116 3.7 44.0 1.0
O A:HOH639 3.8 61.9 1.0
CB A:PRO115 3.8 17.8 1.0
C A:PRO115 3.9 16.9 1.0
CB A:ARG116 4.0 19.6 1.0
CG A:ARG116 4.1 30.0 1.0
CG2 A:THR119 4.2 22.9 1.0
CA A:ARG116 4.2 15.5 1.0
NE A:ARG116 4.2 57.5 1.0
CB A:THR119 4.4 13.4 1.0
CZ A:ARG116 4.4 58.9 1.0
CG1 A:VAL196 4.6 31.7 1.0
CE1 A:HIS203 4.7 12.2 1.0
NE2 A:HIS203 4.8 14.4 1.0
O A:HOH604 4.8 29.8 1.0
O A:ARG116 4.9 15.2 1.0
N A:PRO115 4.9 11.4 1.0

Bromine binding site 7 out of 8 in 1l1g

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Bromine binding site 7 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br269

b:32.2
occ:0.48
 O A:HOH434 3.1 26.1 1.0
N A:ILE77 3.3 10.8 1.0
O A:ILE77 3.9 16.9 1.0
CB A:ILE77 4.0 14.4 1.0
CA A:LYS76 4.0 14.1 1.0
C A:LYS76 4.1 11.9 1.0
CA A:ILE77 4.1 8.6 1.0
O A:HOH625 4.4 42.4 1.0
O A:HOH445 4.4 24.3 1.0
CG1 A:ILE77 4.4 12.3 1.0
CG A:LYS76 4.5 19.2 1.0
C A:ILE77 4.5 16.2 1.0
O A:GLN75 4.6 19.1 1.0
CD1 A:ILE77 4.8 15.6 1.0
CB A:LYS76 4.9 13.8 1.0

Bromine binding site 8 out of 8 in 1l1g

Go back to Bromine Binding Sites List in 1l1g
Bromine binding site 8 out of 8 in the The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol


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 Glycerol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br285

b:27.9
occ:0.45
 N A:SER231 3.3 13.4 1.0
O A:HOH382 3.4 21.8 1.0
N A:ILE230 3.4 11.6 1.0
O A:ALA228 3.5 16.9 1.0
OG A:SER231 3.7 30.4 1.0
C A:ALA228 3.8 15.9 1.0
O A:SER227 3.9 14.2 1.0
CB A:ILE230 4.0 12.5 1.0
CA A:ILE230 4.0 14.0 1.0
CB A:SER231 4.0 17.9 1.0
N A:TYR229 4.1 10.4 1.0
CB A:ALA117 4.1 13.4 1.0
C A:TYR229 4.1 12.9 1.0
C A:ILE230 4.2 12.4 1.0
CA A:SER231 4.3 16.4 1.0
CA A:TYR229 4.3 11.8 1.0
CA A:ALA228 4.5 13.4 1.0
CG1 A:ILE230 4.6 14.3 1.0
C A:SER227 4.8 12.6 1.0
CA A:ALA117 4.8 13.1 1.0
O A:TYR229 5.0 11.6 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 16:50:17 2024

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