Chlorine in PDB 3n54: Crystal Structure of the Gerbc Protein

The structure of Crystal Structure of the Gerbc Protein, PDB code: 3n54 was solved by Y.Li, B.Setlow, P.Setlow, B.Hao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.785, 142.785, 187.827, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of the Gerbc Protein (pdb code 3n54). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of the Gerbc Protein, PDB code: 3n54:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl375 b:90.9 occ:1.00 O B:HOH501 3.0 49.4 1.0 O B:HOH403 3.8 77.3 1.0 CE1 B:TYR92 4.2 52.8 1.0 O B:HOH21 4.2 52.2 1.0 CB B:PRO90 4.2 39.1 1.0 CD1 B:TYR92 4.8 52.0 1.0 CA B:PRO90 4.9 40.3 1.0 CZ B:TYR92 4.9 53.1 1.0 O B:TYR92 5.0 46.4 1.0

Chlorine binding site 2 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl376 b:100.0 occ:1.00 O B:HOH539 3.2 76.5 1.0 O2 B:SO46 3.5 0.1 1.0 CB B:LYS104 3.9 40.5 1.0 CA B:LYS104 4.0 39.7 1.0 N B:LYS104 4.2 38.6 1.0 CG B:GLU103 4.3 39.0 1.0 CD B:ARG107 4.4 42.9 1.0 CG B:LYS104 4.4 43.1 1.0 OE2 B:GLU103 4.5 41.2 1.0 CD B:GLU103 4.5 40.5 1.0 NE B:ARG107 4.7 42.1 1.0 S B:SO46 4.8 0.2 1.0 C B:GLU103 4.8 37.5 1.0 CB B:GLU103 4.9 38.4 1.0 O4 B:SO46 4.9 0.9 1.0 CD B:LYS104 4.9 47.1 1.0 O B:HOH468 4.9 90.5 1.0

Chlorine binding site 3 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl377 b:97.1 occ:1.00 NZ B:LYS75 3.3 45.8 1.0 OH B:TYR49 3.7 40.0 1.0 CE B:LYS75 3.8 43.2 1.0 CZ B:TYR49 4.0 37.1 1.0 NH2 B:ARG33 4.2 55.0 1.0 CE2 B:TYR49 4.2 36.5 1.0 O B:HOH490 4.5 53.6 0.5 CE1 B:TYR49 4.8 35.6 1.0

Chlorine binding site 4 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl378 b:94.9 occ:1.00 O B:HOH533 2.9 92.5 1.0 N B:GLN28 3.4 67.2 1.0 CB B:GLN28 3.9 64.4 1.0 CA B:GLU27 4.0 73.1 1.0 C B:GLU27 4.2 69.7 1.0 CA B:GLN28 4.3 64.7 1.0 CB B:GLU27 4.5 71.4 1.0 O B:ILE26 4.7 82.4 1.0 OE1 B:GLN28 4.8 67.8 1.0 CG B:GLU27 4.9 75.5 1.0

Chlorine binding site 5 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl379 b:83.5 occ:1.00 O B:HOH436 3.1 65.4 1.0 NE B:ARG178 3.6 60.6 1.0 O B:HOH398 4.0 53.3 1.0 CD B:ARG178 4.0 55.1 1.0 O B:HOH435 4.2 61.2 1.0 CG B:ARG178 4.2 51.5 1.0 O B:HOH437 4.3 56.1 1.0 CD B:ARG175 4.3 62.2 1.0 CZ B:ARG178 4.8 64.2 1.0 NE B:ARG175 4.9 65.3 1.0 NH1 B:ARG178 5.0 68.2 1.0

Chlorine binding site 6 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl380 b:0.2 occ:1.00 O B:HOH519 2.8 87.1 1.0 ND1 B:HIS348 3.7 70.0 1.0 CA B:GLY347 4.0 67.0 1.0 CE1 B:HIS348 4.2 70.3 1.0 C B:GLY347 4.4 66.8 1.0 N B:GLY347 4.5 67.1 1.0 O B:GLY347 4.8 66.7 1.0 O B:LYS344 4.9 65.9 1.0 N B:HIS348 4.9 66.7 1.0 CG B:HIS348 5.0 68.4 1.0

Chlorine binding site 7 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl381 b:0.4 occ:1.00 O3 B:SO47 4.0 59.2 1.0 O4 B:SO47 4.3 57.8 1.0 S B:SO47 4.6 59.0 1.0 O1 B:SO47 4.6 56.8 1.0 OE1 B:GLU322 4.9 43.0 1.0

Chlorine binding site 8 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl382 b:0.6 occ:1.00 NH2 B:ARG178 3.6 63.7 1.0 OH B:TYR182 4.0 44.4 1.0 CD1 B:PHE329 4.3 49.1 1.0 CG B:PHE329 4.3 51.0 1.0 CE1 B:PHE329 4.4 48.5 1.0 CD2 B:PHE329 4.5 51.6 1.0 CZ B:PHE329 4.6 50.3 1.0 CE2 B:PHE329 4.7 51.1 1.0 O B:HOH518 4.7 82.1 1.0 CZ B:ARG178 4.7 64.2 1.0 CE2 B:TYR182 4.8 43.3 1.0 CZ B:TYR182 4.8 42.6 1.0 CB B:PHE329 4.9 52.0 1.0 NH1 B:ARG178 5.0 68.2 1.0

Chlorine binding site 9 out of 9 in the Crystal Structure of the Gerbc Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Gerbc Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl383 b:95.3 occ:1.00 O B:HOH537 2.8 64.3 1.0 N B:SER82 3.6 53.9 1.0 C B:VAL81 3.6 52.8 1.0 N B:VAL81 3.8 51.1 1.0 O3 B:SO42 3.9 0.2 1.0 C B:ALA80 3.9 50.0 1.0 CB B:ALA80 4.0 51.0 1.0 CA B:SER82 4.0 55.2 1.0 CA B:VAL81 4.0 51.4 1.0 O B:VAL81 4.0 52.8 1.0 O4 B:SO42 4.2 0.6 1.0 CB B:SER82 4.3 56.5 1.0 O B:ALA80 4.3 50.6 1.0 S B:SO42 4.5 0.6 1.0 CA B:ALA80 4.5 49.5 1.0 O1 B:SO42 4.6 0.6 1.0 O B:HOH536 4.7 68.0 1.0

Y.Li, B.Setlow, P.Setlow, B.Hao. Crystal Structure of the Gerbc Component of A Bacillus Subtilis Spore Germinant Receptor. J.Mol.Biol. V. 402 8 2010.
ISSN: ISSN 0022-2836
PubMed: 20654628
DOI: 10.1016/J.JMB.2010.07.018