Chlorine in PDB 4hh0: Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides

The structure of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides, PDB code: 4hh0 was solved by A.Winkler, U.Heintz, R.Lindner, J.Reinstein, R.Shoeman, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 2.60
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	70.260, 70.260, 382.100, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 22.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Chlorine atom in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides (pdb code 4hh0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 18 binding sites of Chlorine where determined in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides, PDB code: 4hh0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:90.9 occ:1.00 NE A:ARG194 2.8 93.3 1.0 NH1 A:ARG194 3.6 99.4 1.0 CZ A:ARG194 3.7 98.8 1.0 CA A:ALA191 3.7 56.2 1.0 CD A:ARG194 3.8 86.6 1.0 N A:ALA191 3.9 57.0 1.0 C A:LYS190 4.0 64.1 1.0 O A:LYS190 4.0 63.7 1.0 CB A:ARG194 4.3 66.6 1.0 CB A:LYS190 4.3 72.7 1.0 CB A:ALA191 4.4 52.6 1.0 CE A:LYS190 4.4 99.6 1.0 NE2 A:HIS217 4.4 62.8 1.0 CG A:ARG194 4.6 76.3 1.0 CA A:LYS190 4.8 66.7 1.0 C A:ALA191 4.9 56.9 1.0 NH2 A:ARG194 5.0 99.5 1.0

Chlorine binding site 2 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:69.7 occ:1.00 N A:LEU204 3.4 58.5 1.0 CA A:ASP202 3.4 80.5 1.0 CB A:ASP202 3.5 92.1 1.0 CD A:PRO203 3.5 59.9 1.0 C A:ASP202 3.6 69.2 1.0 CB A:LEU204 3.7 53.1 1.0 N A:PRO203 3.7 61.3 1.0 N A:GLY205 3.7 65.4 1.0 CA A:LEU204 3.9 57.4 1.0 CD2 B:HIS308 4.0 53.8 1.0 CD1 A:LEU251 4.1 62.6 1.0 CB B:HIS308 4.2 54.8 1.0 N B:HIS308 4.2 58.0 1.0 O A:ASP202 4.3 68.0 1.0 C A:LEU204 4.3 64.2 1.0 C A:PRO203 4.4 56.9 1.0 CG B:HIS308 4.4 56.6 1.0 CG A:LEU204 4.5 49.9 1.0 O A:HOH623 4.5 79.9 1.0 CA A:PRO203 4.6 57.9 1.0 CG A:PRO203 4.7 57.5 1.0 CA B:HIS308 4.7 55.9 1.0 CA A:GLY205 4.7 62.9 1.0 N A:ASP202 4.8 82.5 1.0 CD1 A:LEU204 4.8 45.8 1.0 CG A:ASP202 4.8 0.2 1.0 O A:THR201 4.9 81.1 1.0 CB A:LEU251 4.9 58.9 1.0 O B:HIS308 5.0 63.1 1.0 CG A:LEU251 5.0 59.5 1.0

Chlorine binding site 3 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:86.7 occ:1.00 N A:GLU209 3.2 63.0 1.0 CA A:ARG206 3.5 60.8 1.0 CB A:GLU209 3.5 75.2 1.0 O A:ARG206 3.6 62.1 1.0 C A:ARG206 3.7 59.8 1.0 CB A:THR208 3.8 66.2 1.0 CB A:ARG206 3.8 63.9 1.0 CA A:GLU209 3.9 66.2 1.0 N A:THR208 4.0 58.1 1.0 C A:THR208 4.1 61.5 1.0 CA A:THR208 4.2 61.2 1.0 N A:LEU207 4.5 56.3 1.0 OE2 A:GLU209 4.5 0.4 1.0 O A:GLY205 4.5 68.1 1.0 OG1 A:THR208 4.6 71.8 1.0 CG A:ARG206 4.6 68.7 1.0 N A:ARG206 4.8 59.0 1.0 CG2 A:THR208 4.8 61.9 1.0 C A:LEU207 4.9 54.9 1.0 CG A:GLU209 4.9 85.5 1.0 NE A:ARG206 4.9 82.6 1.0

Chlorine binding site 4 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:87.6 occ:1.00 N A:GLY358 3.4 0.9 1.0 NH2 A:ARG323 3.5 0.6 1.0 NH1 A:ARG323 3.5 0.7 1.0 CD2 A:LEU356 3.5 0.1 1.0 CB A:LEU356 3.7 0.2 1.0 CA A:GLY358 3.8 97.3 1.0 CZ A:ARG323 3.8 0.2 1.0 CA A:LEU356 3.9 0.3 1.0 C A:LEU356 4.0 0.1 1.0 N A:PRO357 4.1 0.2 1.0 CG A:LEU356 4.2 0.7 1.0 CD A:PRO357 4.2 0.9 1.0 C A:GLY358 4.3 92.5 1.0 N A:LEU359 4.4 91.0 1.0 C A:PRO357 4.5 0.7 1.0 O A:LEU356 4.5 99.5 1.0 CD1 A:LEU356 4.7 96.0 1.0 CA A:PRO357 4.9 0.5 1.0 NE A:ARG323 4.9 0.8 1.0

Chlorine binding site 5 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:92.2 occ:1.00 NH1 A:ARG22 3.0 85.6 1.0 CD A:ARG22 3.4 68.4 1.0 CZ A:ARG22 3.8 83.8 1.0 NE A:ARG22 3.9 77.8 1.0 CB A:SER142 4.0 62.4 1.0 CZ A:PHE62 4.1 63.5 1.0 CE1 A:PHE62 4.3 59.5 1.0 OG A:SER142 4.3 66.2 1.0 CD1 A:ILE146 4.4 49.4 1.0 CG2 A:THR220 4.5 50.9 1.0 CG A:ARG22 4.7 61.9 1.0 CA A:SER142 4.8 61.0 1.0 CG1 A:ILE146 4.8 52.0 1.0 O A:SER142 4.8 71.1 1.0 NH2 A:ARG22 4.8 84.7 1.0

Chlorine binding site 6 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:86.2 occ:1.00 N A:ARG131 3.1 64.9 1.0 CB A:GLU112 3.4 89.0 1.0 N A:GLU112 3.4 78.8 1.0 N A:ALA113 3.5 85.2 1.0 N A:SER132 3.6 75.0 1.0 CB A:ARG131 3.6 68.0 1.0 CA A:ARG131 3.8 65.3 1.0 CA A:GLU112 3.9 84.2 1.0 O A:VAL129 3.9 67.8 1.0 CB A:SER111 4.0 69.3 1.0 C A:ARG131 4.0 67.4 1.0 OG A:SER111 4.1 74.2 1.0 CB A:ALA113 4.1 82.7 1.0 C A:GLY130 4.2 64.3 1.0 C A:GLU112 4.2 86.3 1.0 CA A:GLY130 4.3 65.3 1.0 CG A:ARG131 4.3 70.0 1.0 C A:SER111 4.4 73.0 1.0 CA A:ALA113 4.4 85.8 1.0 CA A:SER132 4.4 79.3 1.0 OE1 A:GLU112 4.5 0.0 1.0 CA A:SER111 4.7 67.7 1.0 CG A:GLU112 4.7 96.7 1.0 CB A:SER132 4.7 85.5 1.0 C A:VAL129 4.9 65.1 1.0

Chlorine binding site 7 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:66.5 occ:1.00 NH1 A:ARG145 2.9 73.2 1.0 NE A:ARG131 3.0 74.3 1.0 NH1 A:ARG131 3.2 72.0 1.0 CZ A:ARG131 3.5 76.5 1.0 CD A:ARG145 3.7 68.3 1.0 CE2 A:PHE173 3.7 52.7 1.0 CG A:ARG145 3.7 65.3 1.0 CG2 A:VAL134 4.0 53.1 1.0 CZ A:PHE173 4.0 50.9 1.0 CZ A:ARG145 4.0 72.1 1.0 CD A:ARG131 4.1 71.6 1.0 CG A:ARG131 4.2 70.0 1.0 NE A:ARG145 4.3 71.0 1.0 CB A:ARG145 4.3 57.5 1.0 CB A:ARG131 4.4 68.0 1.0 CA A:ALA135 4.4 68.2 1.0 O A:VAL134 4.6 63.9 1.0 N A:ALA135 4.6 70.5 1.0 C A:VAL134 4.7 66.6 1.0 NH2 A:ARG131 4.7 79.1 1.0 CB A:VAL134 4.8 56.1 1.0 CD2 A:PHE173 4.9 54.9 1.0 CA A:ARG131 5.0 65.3 1.0 CB A:ALA135 5.0 67.5 1.0

Chlorine binding site 8 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:65.3 occ:1.00 NE1 A:TRP64 3.2 46.9 1.0 OG A:SER20 3.4 56.6 1.0 CD1 A:TRP64 3.7 45.1 1.0 CD A:ARG150 3.8 58.3 1.0 NH2 A:ARG150 3.8 67.8 1.0 CB A:SER20 4.1 53.1 1.0 OE2 A:GLU94 4.3 76.7 1.0 CB A:ALA92 4.4 57.7 1.0 CE2 A:TRP64 4.4 43.6 1.0 NE A:ARG150 4.6 62.9 1.0 CZ A:ARG150 4.7 68.2 1.0 CG2 A:ILE146 4.8 51.8 1.0 CG A:ARG150 4.8 55.1 1.0 CZ2 A:TRP64 5.0 44.0 1.0

Chlorine binding site 9 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:59.7 occ:1.00 NE A:ARG150 2.9 62.9 1.0 NH1 A:ARG150 3.0 71.5 1.0 CZ A:ARG150 3.4 68.2 1.0 CA A:ARG151 3.6 52.8 1.0 N A:ARG151 4.0 51.8 1.0 CB A:ARG151 4.0 59.8 1.0 CD A:ARG100 4.1 55.1 1.0 CD A:ARG150 4.1 58.3 1.0 CG A:ARG150 4.2 55.1 1.0 C A:ARG150 4.3 52.8 1.0 NE A:ARG100 4.3 62.0 1.0 CB A:SER154 4.4 52.6 1.0 O A:ARG150 4.4 52.0 1.0 CG A:ARG151 4.5 68.7 1.0 NH2 A:ARG150 4.7 67.8 1.0 OG A:SER154 4.7 51.9 1.0 CB A:ARG150 4.7 49.7 1.0 C A:ARG151 4.8 49.9 1.0 CG A:ARG100 4.9 50.5 1.0

Chlorine binding site 10 out of 18 in the Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Dark-State Structure of Appa C20S Without the Cys-Rich Region From Rb. Sphaeroides within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:76.2 occ:1.00 NH2 A:ARG188 3.4 53.0 1.0 CG A:PRO219 3.8 56.1 1.0 CD A:PRO219 3.9 53.5 1.0 CB A:PHE143 4.0 63.5 1.0 CD1 A:PHE143 4.3 75.3 1.0 CG A:PHE143 4.3 72.0 1.0 O A:HIS217 4.4 55.7 1.0 CZ A:ARG188 4.5 59.3 1.0 NE A:ARG188 4.6 58.8 1.0 CB A:PHE141 4.7 42.0 1.0 CD2 A:PHE141 4.8 46.3 1.0 OD2 A:ASP223 4.9 62.1 1.0 N A:PHE143 4.9 59.5 1.0 C A:HIS217 5.0 54.7 1.0

A.Winkler, U.Heintz, R.Lindner, J.Reinstein, R.L.Shoeman, I.Schlichting. A Ternary Appa-Ppsr-Dna Complex Mediates Light Regulation of Photosynthesis-Related Gene Expression. Nat.Struct.Mol.Biol. V. 20 859 2013.
ISSN: ISSN 1545-9993
PubMed: 23728293
DOI: 10.1038/NSMB.2597