Chlorine in PDB 3gj1: Non Photoactivated State of Pa-Gfp

The structure of Non Photoactivated State of Pa-Gfp, PDB code: 3gj1 was solved by J.N.Henderson, R.Gepshtein, J.R.Heenan, K.Kallio, D.Huppert, S.J.Remington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.37 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.515, 86.721, 144.159, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.2

The binding sites of Chlorine atom in the Non Photoactivated State of Pa-Gfp (pdb code 3gj1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Non Photoactivated State of Pa-Gfp, PDB code: 3gj1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Non Photoactivated State of Pa-Gfp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Non Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl232 b:37.7 occ:1.00 O A:HOH298 3.0 34.8 1.0 N A:ASN149 3.1 12.8 1.0 NH1 A:ARG168 3.4 12.4 0.7 O A:HOH300 3.5 28.4 1.0 O B:HOH234 3.6 24.5 1.0 CA A:HIS148 3.7 12.5 1.0 O B:HOH246 3.8 36.1 1.0 C A:HIS148 3.9 12.6 1.0 CB A:ASN149 4.0 14.4 1.0 CA A:ASN149 4.1 14.0 1.0 O A:HOH353 4.1 20.1 1.0 CG A:ASN149 4.2 16.7 1.0 O A:ASN149 4.3 13.9 1.0 CB A:HIS148 4.3 11.2 1.0 O A:SER147 4.5 14.5 1.0 ND2 A:ASN149 4.5 20.5 1.0 CZ A:ARG168 4.6 19.3 0.7 O A:HOH419 4.6 28.1 1.0 CD2 A:HIS148 4.7 13.9 1.0 ND2 B:ASN170 4.7 16.9 1.0 C A:ASN149 4.7 14.2 1.0 OD1 A:ASN149 4.8 18.9 1.0 CG A:HIS148 4.8 10.9 1.0 N A:HIS148 4.9 10.7 1.0 OH A:TYR151 4.9 26.8 1.0 NH2 A:ARG168 4.9 7.5 0.7 O B:HOH247 5.0 23.7 1.0

Chlorine binding site 2 out of 5 in the Non Photoactivated State of Pa-Gfp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Non Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl232 b:22.6 occ:1.00 O B:HOH333 2.8 24.6 1.0 O B:HOH299 2.8 21.8 1.0 O B:HOH415 2.9 29.3 1.0 O B:HOH466 3.1 17.9 1.0 N B:TRP57 3.2 11.8 1.0 CD1 B:TRP57 3.7 9.9 1.0 CA B:PRO56 3.7 11.9 1.0 CD B:PRO58 3.9 11.1 1.0 C B:PRO56 3.9 13.3 1.0 CB B:TRP57 3.9 9.6 1.0 CD1 B:TYR143 4.1 14.3 1.0 CB B:PRO56 4.1 13.4 1.0 CA B:TRP57 4.2 10.7 1.0 CG B:TRP57 4.2 11.4 1.0 O B:HOH494 4.4 15.4 1.0 O B:HOH416 4.5 31.7 1.0 CE1 B:TYR143 4.7 11.6 1.0 NE1 B:TRP57 4.9 11.4 1.0 CG B:PRO58 4.9 14.0 1.0 ND1 B:HIS139 4.9 17.9 1.0 N B:PRO58 4.9 11.0 1.0

Chlorine binding site 3 out of 5 in the Non Photoactivated State of Pa-Gfp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Non Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl233 b:18.7 occ:1.00 NE B:ARG168 3.0 14.7 0.5 NE A:ARG168 3.1 21.2 0.7 O B:HOH248 3.2 22.2 1.0 NE A:ARG168 3.2 8.9 0.3 NH2 B:ARG168 3.2 8.9 0.5 NE B:ARG168 3.3 14.6 0.5 O A:HOH372 3.3 19.4 0.7 NH2 A:ARG168 3.3 7.5 0.7 O B:HOH418 3.4 22.9 0.5 CG B:ASN146 3.4 15.0 1.0 CG A:ASN146 3.5 15.3 1.0 CZ B:ARG168 3.6 14.0 0.5 CB B:ASN146 3.7 13.8 1.0 CZ A:ARG168 3.7 19.3 0.7 OD1 B:ASN146 3.7 16.5 1.0 CD A:ARG168 3.7 12.1 0.3 ND2 B:ASN146 3.7 15.0 1.0 ND2 A:ASN146 3.7 12.7 1.0 CB A:ASN146 3.8 13.2 1.0 OD1 A:ASN146 3.8 12.2 1.0 CD B:ARG168 3.9 18.2 0.5 CD A:ARG168 4.1 18.9 0.7 CD B:ARG168 4.1 18.2 0.5 CZ B:ARG168 4.2 15.7 0.5 CZ A:ARG168 4.2 11.8 0.3 NH1 B:ARG168 4.3 11.7 0.5 NH2 A:ARG168 4.4 11.7 0.3 CB A:ARG168 4.7 14.5 0.3 CB A:ARG168 4.7 14.6 0.7 O A:HOH304 4.8 27.3 0.7 CB B:ARG168 4.8 14.3 0.5 CG A:ARG168 4.8 13.8 0.3 CB B:ARG168 4.9 14.4 0.5 NH1 B:ARG168 4.9 15.6 0.5

Chlorine binding site 4 out of 5 in the Non Photoactivated State of Pa-Gfp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Non Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl232 b:26.9 occ:1.00 NE C:ARG168 3.0 33.6 1.0 NH2 C:ARG168 3.1 27.2 1.0 O C:HOH253 3.1 27.7 1.0 O D:HOH270 3.2 29.7 1.0 NE D:ARG168 3.2 35.9 1.0 NH2 D:ARG168 3.3 28.5 1.0 CZ C:ARG168 3.4 35.0 1.0 CG C:ASN146 3.4 18.7 1.0 CG D:ASN146 3.5 21.1 1.0 CB C:ASN146 3.6 17.2 1.0 CB D:ASN146 3.7 18.8 1.0 CZ D:ARG168 3.7 36.1 1.0 OD1 C:ASN146 3.8 19.3 1.0 OD1 D:ASN146 3.8 21.9 1.0 ND2 C:ASN146 3.8 19.5 1.0 ND2 D:ASN146 4.0 20.7 1.0 CD C:ARG168 4.1 31.0 1.0 CD D:ARG168 4.4 30.4 1.0 NH1 C:ARG168 4.7 38.6 1.0 CB C:ARG168 4.8 24.7 1.0

Chlorine binding site 5 out of 5 in the Non Photoactivated State of Pa-Gfp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Non Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl233 b:41.7 occ:1.00 O D:HOH441 2.3 34.5 1.0 O D:HOH576 3.0 21.9 1.0 N D:TRP57 3.4 23.6 1.0 CA D:PRO56 3.8 26.1 1.0 CD1 D:TRP57 3.9 19.8 1.0 O D:HOH599 3.9 32.9 1.0 CD D:PRO58 3.9 20.6 1.0 CB D:PRO56 4.0 26.1 1.0 CB D:TRP57 4.0 21.4 1.0 C D:PRO56 4.1 25.5 1.0 CD1 D:TYR143 4.2 18.4 1.0 CG D:TRP57 4.3 20.6 1.0 CA D:TRP57 4.3 22.7 1.0 ND1 D:HIS139 4.6 33.7 1.0 CE1 D:TYR143 4.7 20.9 1.0 O D:HOH592 4.7 34.8 1.0 CG D:PRO58 4.9 22.0 1.0

J.N.Henderson, R.Gepshtein, J.R.Heenan, K.Kallio, D.Huppert, S.J.Remington. Structure and Mechanism of the Photoactivatable Green Fluorescent Protein. J.Am.Chem.Soc. V. 131 4176 2009.
ISSN: ISSN 0002-7863
PubMed: 19278226
DOI: 10.1021/JA808851N