Chlorine in PDB 7uqa: Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)

Protein crystallography data

The structure of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp), PDB code: 7uqa was solved by A.Maiti, C.Z.Buffalo, S.Saurabh, F.Montecinos-Franjola, J.S.Hachey, W.J.Conlon, G.N.Tran, M.Drobizhev, W.E.Moerner, P.Ghosh, H.Matsuo, R.Y.Tsien, J.Y.Lin, E.A.Rodriguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.57 / 2.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 81.087, 141.802, 171.942, 90, 90, 90
R / Rfree (%) 23.9 / 26.3

Other elements in 7uqa:

The structure of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) (pdb code 7uqa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp), PDB code: 7uqa:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 7uqa

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Chlorine binding site 1 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:56.3
occ:0.50
 NZ A:LYS105 3.4 52.6 1.0
CG A:ARG102 3.7 54.4 1.0
CD A:ARG102 3.8 57.4 1.0
CE A:LYS105 4.0 54.7 1.0
CD A:LYS105 4.1 58.8 1.0
OE1 A:GLU106 4.7 50.8 1.0
CB A:ARG102 4.7 51.8 1.0
OD1 A:ASP125 5.0 57.0 1.0

Chlorine binding site 2 out of 14 in 7uqa

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Chlorine binding site 2 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:86.8
occ:1.00
 O A:HOH314 3.1 65.4 1.0
ND1 A:HIS135 3.6 91.5 1.0
CE1 A:HIS135 3.7 84.6 1.0
O A:HOH310 4.4 61.9 1.0
CG A:HIS135 4.9 94.0 1.0
NE2 A:HIS135 5.0 91.1 1.0

Chlorine binding site 3 out of 14 in 7uqa

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Chlorine binding site 3 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:64.0
occ:1.00
 NZ C:LYS105 3.4 48.0 1.0
CG C:ARG102 4.0 50.2 1.0
CE C:LYS105 4.0 51.7 1.0
CD C:ARG102 4.1 57.5 1.0
CD C:LYS105 4.1 49.9 1.0
OD1 C:ASP125 4.8 43.8 1.0
OE1 C:GLU106 4.8 46.8 1.0
CB C:ARG102 4.9 46.8 1.0

Chlorine binding site 4 out of 14 in 7uqa

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Chlorine binding site 4 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:85.3
occ:1.00
 ND1 C:HIS33 3.4 55.6 1.0
CE1 C:HIS33 4.0 57.7 1.0
CG C:HIS33 4.3 55.5 1.0
CB C:ALA96 4.5 50.2 1.0
CB C:HIS33 4.6 53.1 1.0
CA C:ALA96 4.6 39.2 1.0
CD2 C:LEU36 4.6 48.4 1.0
N C:ALA96 4.7 53.4 1.0
CG C:LEU36 4.9 57.8 1.0
C C:PRO95 5.0 53.6 1.0

Chlorine binding site 5 out of 14 in 7uqa

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Chlorine binding site 5 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:62.3
occ:1.00
 CD C:LYS129 4.0 62.1 1.0
N C:TYR126 4.1 46.8 1.0
O C:ASP125 4.1 46.0 1.0
C C:ASP125 4.1 50.1 1.0
CA C:TYR126 4.1 46.1 1.0
CB C:ASP125 4.2 44.4 1.0
CD1 C:TYR126 4.5 67.8 1.0
CB C:LYS129 4.5 52.0 1.0
CB C:TYR126 4.6 50.1 1.0
O C:HOH301 4.8 55.3 1.0
CA C:ASP125 4.8 49.2 1.0
O C:PRO122 4.8 45.2 1.0
NZ C:LYS129 4.9 60.2 1.0
CG C:LYS129 4.9 50.8 1.0

Chlorine binding site 6 out of 14 in 7uqa

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Chlorine binding site 6 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:64.3
occ:0.50
 NZ D:LYS105 3.3 68.4 1.0
NH2 D:ARG102 3.8 64.4 1.0
CE D:LYS105 3.9 68.4 1.0
CD D:LYS105 4.0 55.3 1.0
CG D:ARG102 4.0 60.3 1.0
CD D:ARG102 4.5 57.1 1.0
CZ D:ARG102 4.9 68.5 1.0
OE2 D:GLU106 5.0 51.3 1.0
CB D:ARG102 5.0 55.5 1.0

Chlorine binding site 7 out of 14 in 7uqa

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Chlorine binding site 7 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:68.9
occ:1.00
 CB E:LYS129 3.3 54.5 1.0
O E:ASP125 3.3 59.3 1.0
CD E:LYS129 3.6 64.8 1.0
CA E:TYR126 3.6 55.4 1.0
C E:ASP125 3.6 53.7 1.0
N E:TYR126 3.8 53.3 1.0
CG E:LYS129 3.8 55.4 1.0
NZ E:LYS129 3.9 59.8 1.0
CE E:LYS129 4.3 69.7 1.0
CB E:ASP125 4.3 52.5 1.0
CD1 E:TYR126 4.3 70.3 1.0
CB E:TYR126 4.4 59.0 1.0
CA E:LYS129 4.6 53.2 1.0
CA E:ASP125 4.6 50.6 1.0
C E:TYR126 4.6 47.9 1.0
CG E:TYR126 4.7 64.9 1.0
N E:LYS129 4.8 45.4 1.0
O E:TYR126 4.8 48.9 1.0

Chlorine binding site 8 out of 14 in 7uqa

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Chlorine binding site 8 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl202

b:86.4
occ:1.00
 NE2 E:GLN46 3.1 98.6 1.0
CG E:GLN46 3.4 82.5 1.0
CD E:GLN46 3.5 90.4 1.0
O E:HOH306 3.7 71.1 1.0
NH1 E:ARG49 3.8 73.1 1.0
N C:GLN46 3.9 69.7 1.0
CA C:SER45 4.2 64.0 1.0
CB C:GLN46 4.5 78.3 1.0
CB C:SER45 4.5 62.1 1.0
CB E:GLN46 4.6 84.6 1.0
OE1 E:GLN46 4.6 86.8 1.0
C C:SER45 4.6 67.5 1.0
CD E:ARG49 4.6 62.5 1.0
CZ E:ARG49 4.7 64.0 1.0
CA C:GLN46 4.9 68.5 1.0
NE E:ARG49 5.0 59.4 1.0

Chlorine binding site 9 out of 14 in 7uqa

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Chlorine binding site 9 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl203

b:74.1
occ:1.00
 ND1 E:HIS33 3.0 59.9 1.0
CE1 E:HIS33 3.2 63.5 1.0
CG E:HIS33 3.7 59.9 1.0
NE2 E:HIS33 4.0 57.9 1.0
CA E:ALA96 4.1 50.1 1.0
CB E:ALA96 4.1 52.2 1.0
CD2 E:HIS33 4.2 53.3 1.0
CB E:HIS33 4.3 58.7 1.0
N E:ALA96 4.4 50.2 1.0
C E:PRO95 4.6 52.5 1.0
CG E:GLU99 4.7 46.6 1.0
O E:PRO95 4.7 59.4 1.0
CD2 E:LEU36 4.8 62.0 1.0

Chlorine binding site 10 out of 14 in 7uqa

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Chlorine binding site 10 out of 14 in the Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Small Ultra-Red Fluorescent Protein (Smurfp) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl201

b:79.3
occ:1.00
 N F:ARG47 3.7 49.1 1.0
O F:HOH303 3.8 52.2 1.0
O F:HOH317 3.9 71.1 1.0
CB F:ARG47 4.0 56.1 1.0
N F:GLN46 4.1 64.6 1.0
CB F:SER45 4.2 60.9 1.0
CB C:ARG47 4.2 58.1 1.0
OG F:SER45 4.3 60.0 1.0
CB F:GLN46 4.4 61.5 1.0
NE2 D:GLN46 4.4 108.8 1.0
CA F:ARG47 4.5 51.5 1.0
CG C:ARG47 4.6 66.1 1.0
CA F:GLN46 4.6 62.0 1.0
C F:GLN46 4.6 60.7 1.0
CA C:ARG47 4.9 63.7 1.0
C F:SER45 5.0 58.5 1.0

Reference:

A.Maiti, C.Z.Buffalo, S.Saurabh, F.Montecinos-Franjola, J.S.Hachey, W.J.Conlon, G.N.Tran, B.Hassan, K.J.Walters, M.Drobizhev, W.E.Moerner, P.Ghosh, H.Matsuo, R.Y.Tsien, J.Y.Lin, E.A.Rodriguez. Structural and Photophysical Characterization of the Small Ultra-Red Fluorescent Protein. Nat Commun V. 14 4155 2023.
ISSN: ESSN 2041-1723
PubMed: 37438348
DOI: 10.1038/S41467-023-39776-9
Page generated: Tue Jul 30 05:07:46 2024

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