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Chlorine in PDB 4b30: Structure of the Mutant V44A of the Fluorescent Protein Killerred

Protein crystallography data

The structure of Structure of the Mutant V44A of the Fluorescent Protein Killerred, PDB code: 4b30 was solved by P.Carpentier, E.De Rosny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 116.32 / 2.10
Space group P 62
Cell size a, b, c (Å), α, β, γ (°) 134.310, 134.310, 76.220, 90.00, 90.00, 120.00
R / Rfree (%) 16.5 / 19.9

Other elements in 4b30:

The structure of Structure of the Mutant V44A of the Fluorescent Protein Killerred also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Mutant V44A of the Fluorescent Protein Killerred (pdb code 4b30). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of the Mutant V44A of the Fluorescent Protein Killerred, PDB code: 4b30:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4b30

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Chlorine binding site 1 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1232

b:66.7
occ:1.00
 O3 A:SO41231 3.7 26.1 0.7
O4 A:SO41231 3.9 30.9 0.7
S A:SO41231 4.4 35.1 0.7
O A:HOH2163 4.7 57.3 1.0
O1 A:SO41231 5.0 28.0 0.7

Chlorine binding site 2 out of 8 in 4b30

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Chlorine binding site 2 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1233

b:69.3
occ:1.00
 N A:ARG205 3.3 49.2 1.0
CB A:ARG205 3.8 58.6 1.0
CA A:MET204 3.9 43.0 1.0
C A:MET204 4.1 45.0 1.0
CA A:ARG205 4.2 56.0 1.0
CG A:MET204 4.4 62.4 1.0
CB A:MET204 4.4 47.6 1.0
O A:GLN203 4.8 43.8 1.0
O A:ARG205 4.9 60.6 1.0

Chlorine binding site 3 out of 8 in 4b30

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Chlorine binding site 3 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1234

b:90.9
occ:1.00
 OD1 A:ASP32 3.6 41.1 1.0
CG A:ASP32 3.9 40.8 1.0
ND1 A:HIS45 3.9 48.9 1.0
O A:VAL30 4.0 30.8 1.0
CG2 A:VAL47 4.1 35.6 1.0
O A:HIS45 4.1 31.3 1.0
OD2 A:ASP32 4.1 58.8 1.0
CG1 A:VAL30 4.3 33.8 1.0
CE1 A:HIS45 4.4 47.9 1.0
O A:HOH2021 4.4 77.3 1.0
N A:ASP32 4.5 30.3 1.0
C A:VAL30 4.5 30.0 1.0
CA A:ALA31 4.6 30.2 1.0
C A:ALA31 4.7 31.4 1.0
N A:ALA31 4.8 28.3 1.0
CB A:ASP32 4.8 32.7 1.0
CB A:VAL47 4.9 33.4 1.0
NZ A:LYS15 4.9 57.4 1.0
CG A:HIS45 4.9 42.5 1.0
C A:HIS45 4.9 29.9 1.0

Chlorine binding site 4 out of 8 in 4b30

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Chlorine binding site 4 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1235

b:71.2
occ:1.00
 N A:LYS26 3.2 35.3 1.0
CA A:GLN25 3.8 34.5 1.0
CB A:LYS26 4.0 37.5 1.0
O A:GLY24 4.0 43.6 1.0
C A:GLN25 4.0 38.9 1.0
CA A:LYS26 4.2 34.9 1.0
CD A:LYS26 4.3 57.5 1.0
CG A:LYS26 4.3 46.9 1.0
CB A:GLN25 4.5 38.1 1.0
O A:LYS26 4.6 32.6 1.0
N A:GLN25 4.8 34.8 1.0
C A:GLY24 4.8 39.8 1.0
C A:LYS26 4.9 34.8 1.0

Chlorine binding site 5 out of 8 in 4b30

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Chlorine binding site 5 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1238

b:86.8
occ:1.00
 O B:HOH2089 3.5 54.3 1.0
C1 B:GOL1235 4.2 61.8 1.0
C2 B:GOL1235 4.3 56.3 1.0
C3 B:GOL1235 4.3 55.7 1.0
O B:PRO226 4.4 28.0 1.0
CG1 B:ILE228 4.5 32.4 1.0
O B:ARG227 4.6 28.8 1.0
CG B:PRO226 4.6 37.2 1.0
CG2 A:VAL219 4.9 24.5 1.0
C B:ARG227 5.0 33.2 1.0
CD1 A:ILE200 5.0 27.5 1.0

Chlorine binding site 6 out of 8 in 4b30

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Chlorine binding site 6 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1233

b:59.9
occ:1.00
 O B:HOH2088 2.5 65.1 1.0
N B:SER224 3.2 25.2 0.5
N B:SER224 3.2 25.7 0.5
OG B:SER224 3.3 28.3 0.5
CA B:HIS223 3.6 25.2 1.0
CB B:HIS223 3.7 26.1 1.0
C B:HIS223 3.9 26.2 1.0
OG B:SER224 4.0 30.6 0.5
O B:SER224 4.0 27.2 0.5
O B:SER224 4.1 26.9 0.5
CA B:SER224 4.3 28.0 0.5
CA B:SER224 4.3 28.6 0.5
CB B:SER224 4.4 26.3 0.5
CG B:PRO75 4.4 37.5 1.0
CD1 B:ILE78 4.4 27.5 1.0
C B:SER224 4.6 27.8 0.5
C B:SER224 4.6 27.4 0.5
CB B:SER224 4.7 27.0 0.5
O B:ALA222 4.9 28.9 1.0
N B:HIS223 4.9 26.1 1.0

Chlorine binding site 7 out of 8 in 4b30

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Chlorine binding site 7 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1234

b:61.3
occ:1.00
 N B:ASN100 3.6 40.7 1.0
NH1 B:ARG97 3.7 55.7 1.0
CA B:GLU99 4.2 36.7 1.0
OD1 B:ASN100 4.4 59.3 1.0
CA B:ASN100 4.4 43.5 1.0
C B:GLU99 4.4 37.4 1.0
CB B:GLU99 4.7 37.4 1.0
O B:HOH2052 4.8 59.4 1.0
CG B:ASN100 4.9 50.7 1.0
CZ B:ARG97 5.0 61.2 1.0

Chlorine binding site 8 out of 8 in 4b30

Go back to Chlorine Binding Sites List in 4b30
Chlorine binding site 8 out of 8 in the Structure of the Mutant V44A of the Fluorescent Protein Killerred


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Mutant V44A of the Fluorescent Protein Killerred within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1237

b:84.6
occ:0.50
 O A:HOH2103 4.3 37.1 1.0
O A:HOH2094 4.4 30.9 1.0
N A:GLY132 4.5 31.9 1.0
CA A:GLY132 4.5 29.5 1.0
O A:ASP131 4.6 31.4 1.0
C A:ASP131 4.6 35.1 1.0
CB A:GLN129 4.7 31.1 1.0
OE1 A:GLN129 4.8 38.1 1.0
CG A:GLN129 4.8 32.6 1.0
CD A:GLN129 4.9 34.7 1.0

Reference:

E.De Rosny, P.Carpentier. Gfp-Like Phototransformation Mechanisms in the Cytotoxic Fluorescent Protein Killerred Unraveled By Structural and Spectroscopic Investigations. J.Am.Chem.Soc. V. 134 18015 2012.
ISSN: ISSN 0002-7863
PubMed: 23025285
DOI: 10.1021/JA3073337
Page generated: Sun Jul 21 09:39:43 2024

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