Chlorine in PDB 3gj2: Photoactivated State of Pa-Gfp

The structure of Photoactivated State of Pa-Gfp, PDB code: 3gj2 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)	40.66 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.714, 87.069, 144.862, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.8

The binding sites of Chlorine atom in the Photoactivated State of Pa-Gfp (pdb code 3gj2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Photoactivated State of Pa-Gfp, PDB code: 3gj2:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 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 Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl240 b:24.6 occ:1.00 O B:HOH452 3.0 20.0 0.5 O A:HOH303 3.0 20.3 1.0 O B:HOH271 3.0 22.6 1.0 NE B:ARG168 3.1 10.5 0.4 NE A:ARG168 3.1 15.8 0.5 O A:HOH446 3.2 24.5 0.5 NE A:ARG168 3.2 18.3 0.5 NE B:ARG168 3.2 19.3 0.6 NH2 B:ARG168 3.3 10.8 0.4 CG B:ASN146 3.5 12.5 1.0 NH2 A:ARG168 3.5 5.8 0.5 CG A:ASN146 3.5 17.0 1.0 CZ B:ARG168 3.6 10.5 0.4 CD A:ARG168 3.6 19.4 0.5 OD1 B:ASN146 3.7 14.3 1.0 OD1 A:ASN146 3.7 15.3 1.0 CB A:ASN146 3.7 13.9 1.0 CB B:ASN146 3.7 14.3 1.0 CZ A:ARG168 3.8 14.4 0.5 ND2 A:ASN146 3.8 14.7 1.0 ND2 B:ASN146 3.8 13.3 1.0 CD B:ARG168 3.9 16.0 0.6 CD B:ARG168 4.1 13.4 0.4 CD A:ARG168 4.2 18.7 0.5 CZ B:ARG168 4.2 16.5 0.6 NH2 B:ARG168 4.2 14.7 0.6 CZ A:ARG168 4.3 16.4 0.5 NH1 A:ARG168 4.6 14.8 0.5 CB A:ARG168 4.6 16.6 0.5 CB A:ARG168 4.7 16.8 0.5 CB B:ARG168 4.7 13.9 0.6 CG A:ARG168 4.7 17.6 0.5 CB B:ARG168 4.8 14.0 0.4 OD1 A:ASN170 4.9 24.2 1.0 NH1 B:ARG168 4.9 12.5 0.4 CG B:ARG168 5.0 17.1 0.6

Chlorine binding site 2 out of 3 in the 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 Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl231 b:30.4 occ:1.00 O B:HOH336 2.8 21.8 1.0 O B:HOH267 2.8 19.2 1.0 O B:HOH319 3.0 22.8 1.0 N B:TRP57 3.0 11.9 1.0 O B:HOH281 3.1 26.1 1.0 CD1 B:TRP57 3.5 14.6 1.0 CD B:PRO58 3.6 12.4 1.0 CB B:TRP57 3.7 11.8 1.0 CA B:PRO56 3.7 12.7 1.0 C B:PRO56 3.8 13.2 1.0 CD1 B:TYR143 3.9 11.0 1.0 CA B:TRP57 3.9 12.9 1.0 CG B:TRP57 4.0 13.5 1.0 CB B:PRO56 4.2 12.6 1.0 O B:HOH330 4.2 31.2 1.0 O B:HOH356 4.3 25.5 1.0 CE1 B:TYR143 4.3 16.4 1.0 O B:HOH237 4.4 15.2 1.0 N B:PRO58 4.6 12.4 1.0 NE1 B:TRP57 4.7 12.8 1.0 O B:HOH333 4.7 22.0 1.0 CG B:PRO58 4.8 14.5 1.0 C B:TRP57 4.8 11.9 1.0 CG B:TYR143 5.0 11.7 1.0

Chlorine binding site 3 out of 3 in the 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 Photoactivated State of Pa-Gfp within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl240 b:36.7 occ:1.00 NE C:ARG168 2.9 41.0 1.0 NH2 C:ARG168 3.1 28.6 1.0 O C:HOH286 3.1 32.7 1.0 NE D:ARG168 3.2 40.3 1.0 O D:HOH471 3.3 34.0 1.0 NH2 D:ARG168 3.3 31.5 1.0 CZ C:ARG168 3.4 38.5 1.0 CG C:ASN146 3.5 26.7 1.0 CG D:ASN146 3.5 26.5 1.0 OD1 C:ASN146 3.6 27.5 1.0 CZ D:ARG168 3.7 40.5 1.0 CB C:ASN146 3.7 24.4 1.0 CB D:ASN146 3.7 25.4 1.0 OD1 D:ASN146 3.8 27.8 1.0 ND2 C:ASN146 3.8 29.3 1.0 ND2 D:ASN146 3.9 28.6 1.0 CD C:ARG168 4.0 37.5 1.0 CD D:ARG168 4.3 37.1 1.0 CB C:ARG168 4.8 30.6 1.0 NH1 C:ARG168 4.8 34.4 1.0 ND2 D:ASN170 4.8 31.2 1.0 CG C:ARG168 5.0 33.5 1.0 CB D:ARG168 5.0 30.3 1.0 OD1 D:ASN170 5.0 39.5 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