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Bromine in PDB 2hi8: Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization

Protein crystallography data

The structure of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization, PDB code: 2hi8 was solved by M.G.Rudolph, D.Roeser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.20 / 1.64
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 61.158, 108.792, 43.057, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 19.1

Other elements in 2hi8:

The structure of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Calcium (Ca) 2 atoms

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Bromine atom in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization (pdb code 2hi8). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 15 binding sites of Bromine where determined in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization, PDB code: 2hi8:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 15 in 2hi8

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Bromine binding site 1 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1001

b:19.9
occ:0.50
 CL X:CL1018 0.0 12.0 0.5
O X:HOH1318 3.0 36.3 1.0
OG X:SER333 3.1 9.6 1.0
OG X:SER336 3.2 11.2 1.0
NE1 X:TRP299 3.3 11.3 1.0
SG X:CYS341 3.4 27.0 1.0
ND2 X:ASN360 3.7 12.0 1.0
N X:SER336 3.8 10.5 1.0
CB P:CYS1 3.8 30.3 0.5
CB X:MET335 3.9 10.8 1.0
OH X:TYR340 3.9 22.2 0.5
O P:CYS1 4.0 30.0 0.5
O P:HOH423 4.0 25.8 0.5
C X:MET335 4.1 10.8 1.0
CA X:SER336 4.1 11.1 1.0
CB X:SER333 4.1 9.5 1.0
CE2 X:TRP299 4.1 10.6 1.0
CD1 X:TRP299 4.2 10.5 1.0
O P:HOH428 4.2 31.8 0.5
CB X:SER336 4.2 11.2 1.0
CB X:CYS341 4.2 21.5 1.0
N X:SER333 4.3 9.7 1.0
CA P:CYS1 4.4 30.3 0.5
CZ2 X:TRP299 4.4 11.7 1.0
CA X:MET335 4.4 10.7 1.0
SG P:CYS1 4.5 31.3 0.5
O X:MET335 4.5 11.2 1.0
C P:CYS1 4.6 29.9 0.5
N X:MET335 4.7 10.4 1.0
CA X:SER333 4.7 9.5 1.0
CZ X:TYR340 4.9 22.1 0.5
CG X:ASN360 4.9 10.0 1.0
O X:SER333 5.0 8.7 1.0
CG X:MET335 5.0 10.2 1.0

Bromine binding site 2 out of 15 in 2hi8

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Bromine binding site 2 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1002

b:18.4
occ:0.50
 O X:HOH1306 3.0 36.0 1.0
N X:LYS249 3.5 14.8 1.0
N X:ASN248 3.7 12.6 1.0
CB X:LYS249 3.8 16.1 1.0
CA X:GLY247 3.9 11.4 1.0
CB X:PRO252 4.0 16.1 1.0
O X:TRP246 4.0 13.0 1.0
CG X:LYS249 4.1 18.5 1.0
O X:HOH1138 4.1 22.9 1.0
CA X:LYS249 4.1 15.2 1.0
C X:GLY247 4.1 11.7 1.0
O X:LYS249 4.1 14.3 1.0
CD1 X:TRP246 4.2 11.4 1.0
C X:ASN248 4.5 14.3 1.0
C X:TRP246 4.5 12.0 1.0
N X:GLY247 4.5 11.5 1.0
CG X:PRO252 4.6 16.7 1.0
C X:LYS249 4.6 14.4 1.0
CA X:ASN248 4.6 13.9 1.0
CA X:PRO252 4.8 15.8 1.0
NE1 X:TRP246 4.9 11.0 1.0

Bromine binding site 3 out of 15 in 2hi8

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Bromine binding site 3 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1003

b:22.9
occ:0.50
 O X:HOH1406 2.8 47.5 1.0
O X:HOH1310 2.8 37.9 1.0
N X:LEU225 3.2 10.3 1.0
O X:HOH1144 3.2 23.3 1.0
CB X:ARG224 3.8 9.7 1.0
CA X:ARG224 3.8 9.9 1.0
CG1 X:VAL215 3.9 12.5 1.0
C X:ARG224 4.0 9.9 1.0
CB X:LEU225 4.0 9.6 1.0
CG2 X:VAL215 4.1 9.8 1.0
CA X:LEU225 4.2 9.7 1.0
CG X:LEU225 4.4 10.7 1.0
CB X:VAL215 4.4 9.9 1.0
CG2 X:THR219 4.6 10.9 0.7
O X:HOH1248 4.6 31.8 1.0
O X:LEU225 4.6 10.7 1.0
CA X:VAL215 4.6 10.1 1.0
OG1 X:THR219 4.8 10.4 0.3
CD1 X:LEU225 4.8 11.5 1.0
C X:LEU225 4.9 10.3 1.0
O X:HOH1056 5.0 13.6 1.0
CG X:ARG224 5.0 9.2 1.0

Bromine binding site 4 out of 15 in 2hi8

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Bromine binding site 4 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1004

b:25.5
occ:0.50
 O X:HOH1054 3.2 13.0 1.0
NH2 X:ARG236 3.3 13.1 1.0
O X:ARG242 3.4 11.6 1.0
O X:HOH1298 3.4 37.2 1.0
NH1 X:ARG236 3.4 12.1 1.0
O X:HOH1077 3.5 17.0 1.0
OD1 X:ASN241 3.6 19.1 0.5
CZ X:ARG236 3.8 13.0 1.0
CB X:THR103 3.8 16.9 1.0
C X:ARG242 4.0 12.4 1.0
C X:ASN241 4.0 14.6 1.0
CB X:ALA347 4.1 12.0 1.0
OG1 X:THR103 4.1 16.6 1.0
CA X:ASN241 4.2 14.9 0.5
CA X:ASN241 4.2 14.9 0.5
O X:GLY102 4.2 14.4 1.0
O X:ASN241 4.3 15.1 1.0
N X:ARG242 4.3 13.5 1.0
O X:HOH1266 4.5 32.5 1.0
CG X:ASN241 4.5 16.7 0.5
CG2 X:THR103 4.6 16.7 1.0
N X:LEU243 4.6 11.7 1.0
CA X:LEU243 4.7 11.4 1.0
CA X:ARG242 4.7 13.0 1.0
CA X:THR103 4.8 16.2 1.0
CB X:ASN241 5.0 15.3 0.5

Bromine binding site 5 out of 15 in 2hi8

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Bromine binding site 5 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1005

b:28.1
occ:0.50
 O X:HOH1286 3.0 36.5 1.0
O X:HOH1211 3.0 29.3 1.0
O X:HOH1090 3.1 18.5 1.0
CG X:LYS109 4.0 18.9 1.0
CB X:LYS109 4.0 17.0 1.0
CB X:ALA114 4.0 15.1 1.0
CD X:LYS109 4.2 21.0 1.0
CG X:PRO106 4.2 17.5 1.0
O X:LYS109 4.3 16.1 1.0
CA X:LYS109 4.5 17.0 1.0
CE X:LYS109 4.6 23.5 1.0
C X:LYS109 4.8 16.5 1.0
CB X:PRO106 4.8 17.5 1.0
O X:HOH1355 4.9 42.2 1.0
NZ X:LYS109 5.0 25.5 1.0

Bromine binding site 6 out of 15 in 2hi8

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Bromine binding site 6 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1006

b:32.2
occ:0.50
 OH X:TYR340 2.2 25.2 0.5
CA P:CYS1 2.6 30.3 0.5
N P:CYS1 2.9 30.3 0.5
CZ X:TYR340 3.0 24.5 0.5
O X:HOH1318 3.1 36.3 1.0
C P:CYS1 3.1 29.9 0.5
NE1 X:TRP180 3.2 16.7 1.0
CE2 X:TYR340 3.3 24.3 0.5
O P:HOH423 3.4 25.8 0.5
O P:CYS1 3.4 30.0 0.5
NE1 X:TRP179 3.5 17.5 1.0
O X:HOH1435 3.8 30.3 0.5
CB P:CYS1 4.0 30.3 0.5
CD1 X:TRP180 4.0 15.5 1.0
N P:THR2 4.0 29.5 0.5
O X:HOH1436 4.1 19.9 0.5
O P:HOH428 4.1 31.8 0.5
CE1 X:TYR340 4.2 23.8 0.5
CE2 X:TYR340 4.2 22.2 0.5
CZ2 X:TRP179 4.2 17.1 1.0
CE2 X:TRP179 4.2 17.2 1.0
CE2 X:TRP180 4.3 15.4 1.0
SG P:CYS1 4.4 31.3 0.5
CD2 X:TYR340 4.6 23.4 0.5
CD1 X:TRP179 4.7 16.3 1.0
CZ2 X:TRP180 4.8 14.6 1.0
OH X:TYR340 4.8 22.2 0.5
CA P:THR2 4.9 29.1 0.5
CD2 X:TYR340 5.0 21.7 0.5

Bromine binding site 7 out of 15 in 2hi8

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Bromine binding site 7 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1007

b:32.9
occ:0.50
 OG1 X:THR219 2.7 12.6 0.7
OG1 X:THR219 3.3 10.4 0.3
CB X:THR219 3.6 10.6 0.3
CB X:THR219 3.6 11.0 0.7
CG2 X:THR219 3.8 10.9 0.7
CG2 X:THR219 3.8 10.0 0.3
O X:VAL215 4.0 10.2 1.0
CA X:ALA216 4.1 10.4 1.0
CG1 X:VAL215 4.1 12.5 1.0
C X:VAL215 4.3 10.1 1.0
N X:ALA216 4.3 10.4 1.0
O X:HOH1098 4.4 18.8 1.0
O X:ALA216 4.8 11.0 1.0
CB X:ALA216 4.9 9.8 1.0
C X:ALA216 4.9 10.2 1.0

Bromine binding site 8 out of 15 in 2hi8

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Bromine binding site 8 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1008

b:27.9
occ:0.50
 OD2 X:ASP368 2.9 18.6 0.3
O X:HOH1407 3.2 49.1 1.0
O X:HOH1264 3.3 32.5 1.0
N X:ASP368 3.4 16.7 1.0
NE X:ARG224 3.6 11.1 1.0
CD X:ARG224 3.6 10.2 1.0
CA X:ALA367 3.7 12.5 1.0
CG X:ASP368 3.8 20.1 0.7
CG X:ASP368 3.8 19.0 0.3
OD1 X:ASP368 3.8 18.7 0.7
CG X:ARG224 3.9 9.2 1.0
C X:ALA367 4.1 14.1 1.0
OD2 X:ASP368 4.1 20.9 0.7
CB X:ASP368 4.1 18.4 0.3
CB X:ASP368 4.2 18.5 0.7
CB X:ALA367 4.2 12.7 1.0
CA X:ASP368 4.4 18.4 1.0
CB X:ARG224 4.4 9.7 1.0
C X:LYS223 4.6 11.1 1.0
O X:HOH1232 4.6 30.6 1.0
NH2 X:ARG369 4.6 28.2 0.5
CA X:LYS223 4.7 11.0 1.0
O X:ALA366 4.7 9.8 1.0
N X:ARG224 4.8 10.3 1.0
O X:GLY222 4.8 12.8 1.0
O X:LYS223 4.8 11.1 1.0
CZ X:ARG224 4.8 13.0 1.0
OD1 X:ASP368 4.8 19.8 0.3
N X:ALA367 4.9 11.5 1.0

Bromine binding site 9 out of 15 in 2hi8

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Bromine binding site 9 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Br1009

b:15.3
occ:0.50
 OD1 X:ASP203 1.5 14.8 0.5
CG X:ASP203 2.4 12.5 0.5
OD2 X:ASP203 2.9 17.2 0.5
O X:HOH1309 3.4 36.5 1.0
N X:ASP203 3.5 10.7 1.0
O X:HOH1199 3.5 28.2 1.0
CD2 X:HIS204 3.6 12.1 1.0
CD X:PRO202 3.6 11.8 1.0
CB X:ASP203 3.6 11.0 0.5
O X:HOH1271 3.7 33.6 1.0
O X:HOH1182 3.7 26.8 1.0
CB X:ASP203 3.7 11.2 0.5
CA X:ARG201 3.7 11.6 1.0
N X:PRO202 3.8 11.2 1.0
C X:ARG201 3.9 12.1 1.0
O X:HIS200 4.0 12.8 1.0
NE2 X:HIS204 4.0 11.7 1.0
CG X:PRO202 4.0 12.1 1.0
CA X:ASP203 4.0 10.6 0.5
CA X:ASP203 4.0 10.5 0.5
CG X:ASP203 4.3 12.2 0.5
OD2 X:ASP203 4.4 14.9 0.5
N X:HIS204 4.5 9.3 1.0
C X:ASP203 4.5 10.3 1.0
O X:HOH1020 4.5 8.4 1.0
N X:ARG201 4.6 12.4 1.0
C X:PRO202 4.6 10.9 1.0
O X:ARG201 4.6 11.7 1.0
CG X:PRO280 4.6 11.8 1.0
C X:HIS200 4.7 11.9 1.0
CB X:ARG201 4.7 11.4 1.0
CA X:PRO202 4.7 11.1 1.0
O X:HOH1216 4.8 28.8 1.0
CG X:HIS204 4.8 9.7 1.0
O X:HOH1147 4.9 22.9 1.0
O X:HOH1321 5.0 38.1 1.0

Bromine binding site 10 out of 15 in 2hi8

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Bromine binding site 10 out of 15 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range:

Reference:

D.Roeser, B.Schmidt, A.Preusser-Kunze, M.G.Rudolph. Probing the Oxygen-Binding Site of the Human Formylglycine-Generating Enzyme Using Halide Ions. Acta Crystallogr.,Sect.D V. 63 621 2007.
ISSN: ISSN 0907-4449
PubMed: 17452787
DOI: 10.1107/S0907444907009961
Page generated: Wed Jul 10 18:06:45 2024

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