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Caesium in PDB 4jfg: Crystal Structure of Sfgfp-66-Hqala

Protein crystallography data

The structure of Crystal Structure of Sfgfp-66-Hqala, PDB code: 4jfg was solved by J.Wang, X.Liu, J.Li, W.Zhang, M.Hu, J.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.84 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 88.174, 148.901, 161.350, 90.00, 90.00, 90.00
R / Rfree (%) 25.9 / 31.2

Caesium Binding Sites:

Pages:

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

Binding sites:

The binding sites of Caesium atom in the Crystal Structure of Sfgfp-66-Hqala (pdb code 4jfg). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 31 binding sites of Caesium where determined in the Crystal Structure of Sfgfp-66-Hqala, PDB code: 4jfg:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 31 in 4jfg

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Caesium binding site 1 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


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Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs302

b:0.1
occ:1.00
 OE1 A:GLN184 4.0 48.8 1.0

Caesium binding site 2 out of 31 in 4jfg

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Caesium binding site 2 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


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Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs303

b:0.6
occ:1.00
 O A:THR49 3.3 28.8 1.0
C A:THR49 4.4 28.9 1.0
CD2 C:LEU15 4.6 48.7 1.0
CA A:THR50 4.7 28.0 1.0
C A:THR50 4.7 29.3 1.0
N A:THR50 5.0 28.7 1.0
O A:THR50 5.0 30.6 1.0

Caesium binding site 3 out of 31 in 4jfg

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Caesium binding site 3 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


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Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs304

b:0.6
occ:1.00
 CA A:PRO56 2.5 20.1 1.0
N A:TRP57 2.5 19.8 1.0
C A:PRO56 2.9 19.1 1.0
CB A:PRO56 3.1 21.8 1.0
N A:PRO56 3.8 22.0 1.0
CD1 A:TRP57 3.8 16.4 1.0
CA A:TRP57 3.8 17.8 1.0
O A:VAL55 3.8 27.9 1.0
CB A:TRP57 4.1 16.0 1.0
CD A:PRO58 4.1 19.9 1.0
O A:PRO56 4.2 18.9 1.0
CG A:TRP57 4.2 15.8 1.0
C A:VAL55 4.2 26.7 1.0
CG A:PRO56 4.2 22.1 1.0
ND1 A:HIS139 4.3 24.5 1.0
CE1 A:HIS139 4.6 23.3 1.0
CD A:PRO56 4.7 21.7 1.0
NE1 A:TRP57 4.8 18.2 1.0
C A:TRP57 4.9 18.6 1.0
N A:PRO58 4.9 20.2 1.0

Caesium binding site 4 out of 31 in 4jfg

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Caesium binding site 4 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


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Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs305

b:0.0
occ:1.00
 O A:ASP103 2.5 28.2 1.0
O A:PHE100 3.2 24.8 1.0
OG1 A:THR105 3.4 25.8 1.0
OG A:SER99 3.4 27.0 1.0
O A:HOH406 3.5 23.1 1.0
O A:GLY104 3.7 28.1 1.0
C A:ASP103 3.7 26.5 1.0
C A:GLY104 4.1 27.8 1.0
C A:PHE100 4.2 24.5 1.0
N A:PHE100 4.3 23.8 1.0
CB A:SER99 4.3 23.7 1.0
N A:ASP103 4.4 24.9 1.0
CA A:GLY104 4.5 24.6 1.0
N A:GLY104 4.6 24.1 1.0
CA A:SER99 4.6 21.1 1.0
C A:SER99 4.6 22.9 1.0
CB A:THR105 4.7 25.1 1.0
CA A:ASP103 4.7 26.8 1.0
N A:THR105 4.8 29.2 1.0
CA A:PHE100 4.9 24.6 1.0

Caesium binding site 5 out of 31 in 4jfg

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Caesium binding site 5 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs306

b:0.6
occ:1.00
 O A:PHE145 3.3 21.2 1.0
OG A:SER147 3.5 32.0 1.0
O A:SER205 3.5 15.2 1.0
OD1 B:ASN146 3.5 48.6 1.0
O B:PHE145 3.6 40.8 1.0
O B:SER205 3.7 36.8 1.0
O B:HOH413 3.9 51.9 1.0
N A:SER147 4.1 26.5 1.0
C A:ASN146 4.4 21.7 1.0
C A:PHE145 4.4 18.9 1.0
CA A:ASN146 4.4 18.4 1.0
N A:SER205 4.5 25.5 1.0
CB A:SER147 4.6 30.4 1.0
C A:SER205 4.6 18.1 1.0
CA A:SER147 4.7 29.6 1.0
CG B:ASN146 4.8 46.8 1.0
C B:SER205 4.8 31.2 1.0
C B:PHE145 4.8 38.9 1.0
N A:ASN146 4.9 18.2 1.0
N B:SER205 4.9 26.5 1.0

Caesium binding site 6 out of 31 in 4jfg

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Caesium binding site 6 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


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Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs307

b:0.5
occ:1.00
 O A:ILE188 2.4 61.4 1.0
C A:ILE188 3.2 66.0 1.0
O A:PRO187 3.4 60.9 1.0
CA A:ILE188 3.6 65.1 1.0
N A:GLY189 4.3 70.0 1.0
C A:PRO187 4.3 57.5 1.0
N A:ILE188 4.4 62.2 1.0
CB A:ILE188 4.7 69.2 1.0
CA A:GLY189 4.8 71.7 1.0
O A:GLY189 4.9 68.7 1.0
OG1 A:THR186 4.9 37.9 1.0

Caesium binding site 7 out of 31 in 4jfg

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Caesium binding site 7 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs302

b:0.2
occ:1.00
 O B:HOH409 3.5 3.5 1.0
CD B:GLN184 4.1 57.0 1.0
NE2 B:GLN184 4.2 54.4 1.0
OE1 B:GLN184 4.2 59.6 1.0
CG B:GLN184 4.4 54.3 1.0

Caesium binding site 8 out of 31 in 4jfg

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Caesium binding site 8 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs303

b:0.2
occ:1.00
 O B:HOH402 4.4 6.9 1.0

Caesium binding site 9 out of 31 in 4jfg

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Caesium binding site 9 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs304

b:85.3
occ:1.00
 O B:ASP103 3.0 34.0 1.0
OG B:SER99 3.1 16.6 1.0
O B:PHE100 3.3 26.7 1.0
OG1 B:THR105 3.4 19.8 1.0
O B:GLY104 3.7 22.3 1.0
C B:ASP103 4.0 31.8 1.0
N B:PHE100 4.1 26.2 1.0
CB B:SER99 4.2 15.1 1.0
C B:PHE100 4.2 27.2 1.0
C B:GLY104 4.2 24.8 1.0
CA B:SER99 4.4 18.3 1.0
C B:SER99 4.5 25.1 1.0
N B:ASP103 4.7 34.4 1.0
CA B:GLY104 4.7 27.1 1.0
N B:GLY104 4.7 29.6 1.0
CA B:PHE100 4.7 27.0 1.0
CB B:THR105 4.8 18.8 1.0
N B:THR105 4.9 22.9 1.0
CA B:ASP103 5.0 31.5 1.0

Caesium binding site 10 out of 31 in 4jfg

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Caesium binding site 10 out of 31 in the Crystal Structure of Sfgfp-66-Hqala


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of Crystal Structure of Sfgfp-66-Hqala within 5.0Å range:

Reference:

X.Liu, J.Li, C.Hu, Q.Zhou, W.Zhang, M.Hu, J.Zhou, J.Wang. Significant Expansion of the Fluorescent Protein Chromophore Through the Genetic Incorporation of A Metal-Chelating Unnatural Amino Acid. Angew.Chem.Int.Ed.Engl. V. 52 4805 2013.
ISSN: ISSN 1433-7851
PubMed: 23554162
DOI: 10.1002/ANIE.201301307
Page generated: Sun Dec 13 10:56:28 2020

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