Chlorine in PDB 3a6r: E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F)

The structure of E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F), PDB code: 3a6r was solved by T.Nakanishi, Y.Haruyama, H.Inoue, M.Kitamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.661, 83.583, 79.595, 90.00, 94.72, 90.00
R / Rfree (%)	17 / 18.9

The binding sites of Chlorine atom in the E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F) (pdb code 3a6r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F), PDB code: 3a6r:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:9.6 occ:1.00 NH1 B:ARG71 3.2 16.6 1.0 OG A:SER34 3.3 10.7 1.0 N A:SER34 3.3 6.1 1.0 N A:GLY14 3.3 6.2 1.0 CA A:GLN13 3.5 9.0 1.0 O A:HOH1756 3.5 25.0 1.0 CB A:SER34 3.6 9.2 1.0 N A:ASN33 3.6 6.2 1.0 O A:GLY14 3.7 6.2 1.0 CB A:TRP32 3.8 6.7 1.0 C A:GLN13 3.9 7.5 1.0 CB A:ASN33 3.9 5.7 1.0 CB A:GLN13 4.0 10.7 1.0 CA A:SER34 4.1 7.5 1.0 CD B:ARG71 4.1 13.9 1.0 CA A:ASN33 4.1 6.0 1.0 O A:HOH1142 4.2 13.5 1.0 C A:ASN33 4.2 6.0 1.0 CG B:ARG71 4.2 11.7 1.0 C A:TRP32 4.2 6.1 1.0 CE3 A:TRP32 4.2 6.8 1.0 CZ B:ARG71 4.3 18.0 1.0 CA A:TRP32 4.4 6.5 1.0 CG A:GLN13 4.4 15.1 1.0 CA A:GLY14 4.4 6.8 1.0 O A:ASN12 4.5 8.0 1.0 C A:GLY14 4.5 6.0 1.0 CG A:TRP32 4.5 6.7 1.0 N A:GLN13 4.6 8.0 1.0 CD2 A:TRP32 4.6 7.3 1.0 NE B:ARG71 4.6 16.0 1.0 O B:HOH1659 4.6 21.6 1.0 O B:HOH1415 4.7 23.1 1.0 CG A:ASN33 4.8 6.9 1.0 C A:ASN12 4.9 7.5 1.0

Chlorine binding site 2 out of 3 in the E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2001 b:8.4 occ:1.00 NH1 D:ARG71 3.2 14.9 1.0 OG C:SER34 3.2 10.3 1.0 N C:SER34 3.3 6.5 1.0 N C:GLY14 3.4 6.0 1.0 CA C:GLN13 3.5 7.7 1.0 CB C:SER34 3.6 10.0 1.0 N C:ASN33 3.7 6.2 1.0 O C:GLY14 3.7 6.1 1.0 CB C:TRP32 3.8 7.1 1.0 CB C:ASN33 3.9 6.4 1.0 C C:GLN13 4.0 6.5 1.0 CD D:ARG71 4.0 11.5 1.0 CB C:GLN13 4.0 8.9 1.0 CA C:SER34 4.1 7.5 1.0 CG D:ARG71 4.1 9.7 1.0 O C:HOH1106 4.1 12.1 1.0 CA C:ASN33 4.1 6.5 1.0 C C:ASN33 4.2 6.4 1.0 CE3 C:TRP32 4.3 6.8 1.0 CZ D:ARG71 4.3 14.1 1.0 C C:TRP32 4.3 6.6 1.0 CG C:GLN13 4.4 13.1 1.0 O C:ASN12 4.4 7.4 1.0 CA C:TRP32 4.4 6.3 1.0 CA C:GLY14 4.5 6.1 1.0 C C:GLY14 4.5 5.8 1.0 CG C:TRP32 4.5 7.5 1.0 NE D:ARG71 4.6 12.8 1.0 N C:GLN13 4.6 7.1 1.0 CD2 C:TRP32 4.6 6.8 1.0 O D:HOH1640 4.6 22.5 1.0 CG C:ASN33 4.8 6.8 1.0 O C:HOH1438 4.9 21.9 1.0 C C:ASN12 4.9 7.3 1.0

Chlorine binding site 3 out of 3 in the E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of E13Q Mutant of Fmn-Binding Protein From Desulfovibrio Vulgaris (Miyazaki F) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2003 b:7.2 occ:1.00 OG D:SER34 3.1 10.4 1.0 NH1 C:ARG71 3.2 9.2 1.0 N D:GLY14 3.3 5.9 1.0 N D:SER34 3.3 5.8 1.0 CA D:GLN13 3.5 6.5 1.0 CB D:SER34 3.6 8.0 1.0 N D:ASN33 3.6 5.5 1.0 O D:GLY14 3.6 5.8 1.0 CB D:TRP32 3.7 6.7 1.0 CD C:ARG71 3.9 8.6 1.0 C D:GLN13 3.9 6.0 1.0 CB D:ASN33 4.0 6.2 1.0 CG C:ARG71 4.0 7.7 1.0 CB D:GLN13 4.0 6.8 1.0 CA D:SER34 4.1 7.3 1.0 CE3 D:TRP32 4.1 6.0 1.0 CA D:ASN33 4.2 5.8 1.0 O D:HOH1501 4.2 23.8 1.0 C D:ASN33 4.2 5.9 1.0 C D:TRP32 4.2 5.4 1.0 CZ C:ARG71 4.3 8.4 1.0 CG D:GLN13 4.4 7.0 1.0 CA D:TRP32 4.4 5.5 1.0 CG D:TRP32 4.4 6.2 1.0 C D:GLY14 4.4 4.9 1.0 CA D:GLY14 4.4 5.3 1.0 O D:ASN12 4.5 7.3 1.0 CD2 D:TRP32 4.5 6.8 1.0 NE C:ARG71 4.5 10.0 1.0 N D:GLN13 4.6 6.2 1.0 CG D:ASN33 4.9 6.6 1.0 O A:ALA59 4.9 8.8 1.0 C D:ASN12 5.0 7.1 1.0

H.Chosrowjan, S.Taniguchi, N.Mataga, T.Nakanishi, Y.Haruyama, S.Sato, M.Kitamura, F.Tanaka. Effects of the Disappearance of One Charge on Ultrafast Fluorescence Dynamics of the Fmn Binding Protein. J.Phys.Chem.B V. 114 6175 2010.
ISSN: ISSN 1089-5647
PubMed: 20397678
DOI: 10.1021/JP912137S