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Fluorine in PDB 1rrx: Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein

Protein crystallography data

The structure of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein, PDB code: 1rrx was solved by J.H.Bae, P.Paramita Pal, L.Moroder, R.Huber, N.Budisa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.41 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.003, 62.430, 70.931, 90.00, 90.00, 90.00
R / Rfree (%) 22.5 / 27.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein (pdb code 1rrx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein, PDB code: 1rrx:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 10 in 1rrx

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Fluorine binding site 1 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F39

b:28.8
occ:1.00
 F A:YOF39 0.0 28.8 1.0
CE1 A:YOF39 1.4 30.9 1.0
CD1 A:YOF39 2.4 28.6 1.0
CZ A:YOF39 2.4 30.9 1.0
OH A:YOF39 2.8 33.8 1.0
CE2 A:YOF39 3.7 29.1 1.0
CG A:YOF39 3.7 25.4 1.0
CD2 A:YOF39 4.1 27.2 1.0
O A:THR38 4.2 19.3 1.0
CG2 A:THR38 4.3 17.1 1.0
CB A:YOF39 4.9 20.9 1.0
C A:THR38 4.9 19.6 1.0

Fluorine binding site 2 out of 10 in 1rrx

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Fluorine binding site 2 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F66

b:12.8
occ:1.00
 F A:MFC66 0.0 12.8 1.0
CE2 A:MFC66 1.4 12.9 1.0
CZ A:MFC66 2.4 11.9 1.0
CD2 A:MFC66 2.5 12.6 1.0
OH A:MFC66 2.8 17.5 1.0
CG2 A:VAL150 3.3 20.7 1.0
CB A:HIS148 3.4 17.6 1.0
CD2 A:PHE165 3.5 14.8 1.0
OG1 A:THR203 3.6 13.6 1.0
CD1 A:ILE167 3.6 15.4 1.0
CE2 A:PHE165 3.6 13.8 1.0
ND1 A:HIS148 3.7 16.9 1.0
CE1 A:MFC66 3.8 14.0 1.0
CG A:HIS148 3.8 18.6 1.0
CG2 A:MFC66 3.9 14.3 1.0
CG2 A:THR203 3.9 9.8 1.0
CB A:THR203 4.3 11.5 1.0
CD1 A:MFC66 4.4 13.8 1.0
CG A:PHE165 4.4 15.5 1.0
CZ A:PHE165 4.5 15.5 1.0
CA A:HIS148 4.5 16.2 1.0
C A:HIS148 4.7 18.2 1.0
O A:HOH266 4.7 23.8 1.0
CB A:VAL150 4.7 22.5 1.0
CE1 A:HIS148 4.7 17.2 1.0
CG2 A:THR62 4.8 12.6 1.0
CG1 A:ILE167 4.8 14.6 1.0
N A:ASN149 4.9 22.3 1.0
CD2 A:HIS148 4.9 16.2 1.0
N A:HIS148 5.0 16.0 1.0
O A:HIS148 5.0 17.6 1.0
CB A:PHE165 5.0 18.4 1.0

Fluorine binding site 3 out of 10 in 1rrx

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Fluorine binding site 3 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F74

b:14.2
occ:1.00
 F A:YOF74 0.0 14.2 1.0
CE1 A:YOF74 1.4 14.4 1.0
CD1 A:YOF74 2.4 12.8 1.0
CZ A:YOF74 2.4 15.3 1.0
OH A:YOF74 2.7 15.6 1.0
O A:HOH239 2.9 13.8 1.0
CD2 A:PHE84 3.3 12.1 1.0
CB A:SER72 3.6 13.3 1.0
CE2 A:PHE84 3.6 10.7 1.0
CG A:YOF74 3.6 15.2 1.0
O A:GLN69 3.7 11.6 1.0
CE2 A:YOF74 3.7 14.4 1.0
CD2 A:LEU201 3.7 15.7 1.0
OD1 A:ASP82 3.8 19.0 1.0
OG A:SER72 4.0 16.8 1.0
CG A:ASP82 4.1 19.5 1.0
CD2 A:YOF74 4.1 12.5 1.0
OD2 A:ASP82 4.4 14.7 1.0
CG A:PHE84 4.4 13.7 1.0
CD1 A:LEU201 4.6 13.3 1.0
O A:SER72 4.6 19.7 1.0
O A:HOH250 4.7 19.0 1.0
CA A:SER72 4.7 23.2 1.0
C A:GLN69 4.7 11.9 1.0
CG A:LEU201 4.8 14.5 1.0
C A:SER72 4.8 22.3 1.0
CB A:PHE84 4.8 13.7 1.0
CB A:ASP82 4.9 20.0 1.0
CB A:YOF74 4.9 13.1 1.0
CA A:ASP82 4.9 22.1 1.0
N A:SER72 5.0 23.3 1.0
CZ A:PHE84 5.0 9.5 1.0

Fluorine binding site 4 out of 10 in 1rrx

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Fluorine binding site 4 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F92

b:20.8
occ:1.00
 F A:YOF92 0.0 20.8 1.0
CE1 A:YOF92 1.4 20.2 1.0
CZ A:YOF92 2.4 20.6 1.0
CD1 A:YOF92 2.4 19.1 1.0
O A:PHE84 2.8 18.6 1.0
OH A:YOF92 2.8 20.2 1.0
CE A:MET88 3.0 15.9 1.0
CB A:PHE84 3.1 13.7 1.0
CB A:CYS70 3.2 12.6 1.0
C A:PHE84 3.2 17.6 1.0
CA A:PHE84 3.3 16.7 1.0
CE2 A:YOF92 3.7 18.5 1.0
CG A:YOF92 3.7 18.7 1.0
SG A:CYS70 3.8 15.6 1.0
CD1 A:PHE84 4.0 11.8 1.0
CA A:CYS70 4.0 18.4 1.0
CG A:PHE84 4.1 13.7 1.0
N A:CYS70 4.2 15.9 1.0
CD2 A:YOF92 4.2 15.5 1.0
N A:LYS85 4.3 15.8 1.0
CG2 A:VAL112 4.5 23.6 1.0
CG A:MET88 4.5 12.6 1.0
SD A:MET88 4.6 15.9 1.0
N A:PHE84 4.7 15.5 1.0
CA A:LYS85 4.9 14.7 1.0

Fluorine binding site 5 out of 10 in 1rrx

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Fluorine binding site 5 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F106

b:17.2
occ:1.00
 F A:YOF106 0.0 17.2 1.0
CE1 A:YOF106 1.3 16.5 1.0
CD1 A:YOF106 2.3 16.2 1.0
CZ A:YOF106 2.4 14.6 1.0
OH A:YOF106 2.7 15.6 1.0
CG2 A:VAL22 2.9 6.5 1.0
CE1 A:PHE130 3.0 12.8 1.0
CZ A:PHE130 3.0 12.6 1.0
CG1 A:VAL22 3.0 10.0 1.0
CB A:VAL22 3.6 9.6 1.0
CG A:YOF106 3.6 16.2 1.0
CE2 A:YOF106 3.7 15.9 1.0
CD1 A:PHE130 3.7 13.8 1.0
CE2 A:PHE130 3.7 13.8 1.0
CG1 A:VAL55 4.0 7.9 1.0
CD2 A:YOF106 4.1 15.7 1.0
CD2 A:PHE130 4.3 13.5 1.0
CA A:GLY127 4.3 19.5 1.0
CG A:PHE130 4.3 15.8 1.0
CG2 A:ILE136 4.3 8.1 1.0
CA A:VAL22 4.7 15.4 1.0
CB A:YOF106 4.9 16.8 1.0
CB A:VAL55 4.9 9.0 1.0
O A:ASN105 5.0 16.2 1.0
CD2 A:LEU125 5.0 12.6 1.0

Fluorine binding site 6 out of 10 in 1rrx

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Fluorine binding site 6 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F143

b:19.6
occ:1.00
 F A:YOF143 0.0 19.6 1.0
CE1 A:YOF143 1.4 18.3 1.0
CD1 A:YOF143 2.4 16.9 1.0
CZ A:YOF143 2.4 16.5 1.0
C A:SER208 2.7 17.5 1.0
OH A:YOF143 2.8 18.5 1.0
CA A:SER208 2.8 15.4 1.0
O A:SER208 2.9 14.4 1.0
N A:SER208 3.2 15.1 1.0
N A:LYS209 3.3 16.5 1.0
C A:LEU207 3.5 22.1 1.0
CD A:LYS209 3.5 27.6 1.0
O A:LEU207 3.5 21.6 1.0
CG A:YOF143 3.7 17.9 1.0
CE2 A:YOF143 3.7 17.6 1.0
CB A:LYS209 4.0 26.3 1.0
CA A:LYS209 4.0 20.4 1.0
CD2 A:YOF143 4.2 16.6 1.0
CG A:LYS209 4.3 27.8 1.0
CB A:SER208 4.3 16.1 1.0
O A:HOH287 4.3 34.9 1.0
CB A:LEU207 4.4 17.7 1.0
CE A:LYS209 4.4 26.4 1.0
CA A:LEU207 4.5 21.2 1.0
NZ A:LYS209 4.8 29.6 1.0
O A:YOF143 4.8 20.6 1.0
CB A:YOF143 4.9 17.1 1.0

Fluorine binding site 7 out of 10 in 1rrx

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Fluorine binding site 7 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F145

b:15.3
occ:1.00
 F A:YOF145 0.0 15.3 1.0
CE1 A:YOF145 1.3 14.0 1.0
CD1 A:YOF145 2.3 13.1 1.0
CZ A:YOF145 2.3 15.1 1.0
O A:PRO58 2.5 12.4 1.0
OH A:YOF145 2.7 15.7 1.0
CE1 A:HIS169 2.8 12.1 1.0
O A:HOH243 3.0 21.2 1.0
ND1 A:HIS169 3.3 11.1 1.0
C A:PRO58 3.3 12.0 1.0
CG A:YOF145 3.6 14.5 1.0
CE2 A:YOF145 3.6 14.4 1.0
CA A:PRO58 3.7 12.5 1.0
CB A:VAL61 3.8 7.4 1.0
CB A:PRO58 3.8 13.3 1.0
NE2 A:HIS169 4.0 11.6 1.0
O A:HOH248 4.0 20.6 1.0
CD2 A:YOF145 4.1 14.5 1.0
CG2 A:VAL61 4.1 5.9 1.0
CG2 A:ILE167 4.2 15.1 1.0
N A:THR59 4.3 14.2 1.0
CG1 A:VAL61 4.5 5.4 1.0
CG A:HIS169 4.6 11.4 1.0
O A:HOH234 4.7 13.6 1.0
CA A:THR59 4.8 15.4 1.0
N A:VAL61 4.8 13.7 1.0
CB A:YOF145 4.8 13.8 1.0
CA A:VAL61 4.9 16.1 1.0
CD2 A:HIS169 4.9 10.7 1.0

Fluorine binding site 8 out of 10 in 1rrx

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Fluorine binding site 8 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F151

b:20.6
occ:1.00
 F A:YOF151 0.0 20.6 1.0
CE1 A:YOF151 1.4 17.9 1.0
CZ A:YOF151 2.4 16.6 1.0
CD1 A:YOF151 2.4 18.9 1.0
OH A:YOF151 2.8 18.6 1.0
O A:HOH251 3.1 19.8 1.0
O A:ASN149 3.5 22.1 1.0
CE2 A:YOF151 3.7 18.8 1.0
CG A:YOF151 3.7 19.6 1.0
CB A:ASN149 3.9 27.8 1.0
CD2 A:YOF151 4.2 17.4 1.0
C A:ASN149 4.3 22.2 1.0
CA A:ASN149 4.7 21.7 1.0
CB A:YOF151 5.0 15.4 1.0

Fluorine binding site 9 out of 10 in 1rrx

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Fluorine binding site 9 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F182

b:44.6
occ:1.00
 F A:YOF182 0.0 44.6 1.0
CE1 A:YOF182 1.4 40.4 1.0
CZ A:YOF182 2.4 41.1 1.0
CD1 A:YOF182 2.4 37.0 1.0
OH A:YOF182 2.8 44.7 1.0
CB A:ASP180 3.1 27.3 1.0
CG A:ASP180 3.6 29.8 1.0
CE2 A:YOF182 3.7 40.7 1.0
CD1 A:PHE99 3.7 21.8 1.0
CG A:YOF182 3.7 35.2 1.0
OD1 A:ASP180 3.9 31.9 1.0
CE1 A:PHE99 4.2 24.4 1.0
CD2 A:YOF182 4.2 36.9 1.0
C A:ASP180 4.2 14.1 1.0
CA A:ASP180 4.3 13.4 1.0
O A:ASP180 4.3 11.1 1.0
OD2 A:ASP180 4.4 31.4 1.0
CG A:PHE99 4.6 20.8 1.0
N A:HIS181 4.7 11.9 1.0
CB A:PHE99 4.9 18.8 1.0
CB A:YOF182 5.0 29.8 1.0
O A:HIS181 5.0 11.2 1.0

Fluorine binding site 10 out of 10 in 1rrx

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Fluorine binding site 10 out of 10 in the Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystallographic Evidence For Isomeric Chromophores in 3- Fluorotyrosyl-Green Fluorescent Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F200

b:29.8
occ:1.00
 F A:YOF200 0.0 29.8 1.0
CE1 A:YOF200 1.4 26.9 1.0
CZ A:YOF200 2.4 25.8 1.0
CD1 A:YOF200 2.4 23.6 1.0
OH A:YOF200 2.8 30.4 1.0
CA A:GLY228 2.8 31.9 1.0
N A:GLY228 3.5 26.8 1.0
CE2 A:YOF200 3.7 26.7 1.0
CG A:YOF200 3.7 23.9 1.0
C A:ALA227 4.0 25.3 1.0
O A:ALA227 4.1 26.9 1.0
C A:GLY228 4.1 34.0 1.0
CD2 A:YOF200 4.2 24.2 1.0
O A:GLY228 4.4 32.8 1.0
CB A:YOF200 5.0 19.4 1.0
CB A:ALA227 5.0 25.7 1.0

Reference:

J.H.Bae, P.Paramita Pal, L.Moroder, R.Huber, N.Budisa. Crystallographic Evidence For Isomeric Chromophores in 3-Fluorotyrosyl-Green Fluorescent Protein. Chembiochem V. 5 720 2004.
ISSN: ISSN 1439-4227
PubMed: 15122645
DOI: 10.1002/CBIC.200300818
Page generated: Wed Jul 31 12:42:15 2024

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