Chlorine in PDB 3nrj: Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium

The structure of Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium, PDB code: 3nrj was solved by Y.Patskovsky, U.Ramagopal, R.Toro, J.Freeman, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structural Genomics(Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.302, 126.733, 106.531, 90.00, 95.57, 90.00
R / Rfree (%)	17.9 / 24

The structure of Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium also contains other interesting chemical elements:

Magnesium

(Mg)

12 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium (pdb code 3nrj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium, PDB code: 3nrj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl188 b:46.7 occ:1.00 NH1 C:ARG69 3.1 49.5 0.5 NH1 A:ARG77 3.3 40.0 1.0 NH2 A:ARG77 3.4 33.8 1.0 CA A:GLY50 3.7 38.5 1.0 CZ A:ARG77 3.8 45.9 1.0 O A:HOH209 3.8 53.8 1.0 CA A:THR47 3.9 37.6 1.0 CD1 C:LEU33 3.9 41.2 1.0 O A:THR47 4.0 37.9 1.0 CZ C:ARG69 4.1 59.2 0.5 CG2 A:THR47 4.2 45.3 1.0 N A:GLY50 4.2 37.7 1.0 CB A:THR47 4.3 42.0 1.0 NH1 C:ARG69 4.4 38.9 0.5 C A:THR47 4.4 38.2 1.0 C A:GLY50 4.4 43.5 1.0 O A:ASN46 4.5 38.2 1.0 CD2 A:LEU81 4.5 41.4 1.0 NH2 C:ARG69 4.5 51.5 0.5 N A:GLN51 4.6 32.3 1.0 N A:THR47 4.7 31.7 1.0 NZ A:LYS54 4.7 77.7 1.0 C A:ASN46 4.9 30.7 1.0

Chlorine binding site 2 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl189 b:41.1 occ:1.00 NH1 A:ARG69 3.2 30.7 0.3 NH1 H:ARG77 3.3 36.4 1.0 NH2 H:ARG77 3.4 35.3 1.0 NH2 A:ARG69 3.5 32.1 0.3 O A:HOH226 3.6 50.3 1.0 CA H:GLY50 3.7 41.1 1.0 CZ H:ARG77 3.8 44.9 1.0 CA H:THR47 3.8 35.7 1.0 CZ A:ARG69 3.8 29.4 0.3 CD1 A:LEU33 3.9 43.7 1.0 O H:THR47 4.1 35.3 1.0 N H:GLY50 4.2 38.3 1.0 CB H:THR47 4.3 41.2 1.0 CG2 H:THR47 4.3 39.2 1.0 O H:ASN46 4.4 33.7 1.0 NH1 A:ARG69 4.4 28.1 0.3 C H:THR47 4.4 39.6 1.0 C H:GLY50 4.5 41.8 1.0 CD2 H:LEU81 4.6 46.0 1.0 N H:THR47 4.6 32.2 1.0 O H:HOH222 4.7 55.9 1.0 N H:GLN51 4.7 37.0 1.0 C H:ASN46 4.8 27.9 1.0 NZ H:LYS54 5.0 73.0 1.0

Chlorine binding site 3 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl188 b:52.6 occ:1.00 NH1 K:ARG69 2.2 44.2 0.5 NH1 B:ARG77 3.2 40.5 1.0 NH2 B:ARG77 3.4 42.1 1.0 CZ K:ARG69 3.4 50.1 0.5 CZ B:ARG77 3.8 44.1 1.0 CA B:GLY50 3.8 47.9 1.0 CD1 K:LEU33 3.8 51.2 1.0 CA B:THR47 3.8 41.0 1.0 O B:THR47 4.0 44.2 1.0 NE K:ARG69 4.1 55.9 0.5 OG1 B:THR47 4.1 64.0 1.0 NH2 K:ARG69 4.3 51.7 0.5 CB B:THR47 4.4 48.8 1.0 N B:GLY50 4.4 47.0 1.0 C B:THR47 4.4 48.0 1.0 NH1 K:ARG69 4.5 46.3 0.5 CD2 B:LEU81 4.5 43.4 1.0 O B:ASN46 4.5 39.3 1.0 C B:GLY50 4.6 49.5 1.0 N B:THR47 4.7 42.6 1.0 N B:GLN51 4.7 47.1 1.0 C B:ASN46 4.9 41.9 1.0 NZ B:LYS54 5.0 76.5 1.0

Chlorine binding site 4 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl189 b:51.5 occ:1.00 NH1 B:ARG69 2.9 44.7 0.5 NH2 B:ARG69 3.1 45.5 0.5 NH1 J:ARG77 3.3 43.4 1.0 CZ B:ARG69 3.4 49.5 0.5 NH2 J:ARG77 3.4 42.5 1.0 O J:HOH195 3.6 77.5 1.0 CA J:GLY50 3.8 44.6 1.0 CA J:THR47 3.8 46.9 1.0 CZ J:ARG77 3.8 43.7 1.0 CD1 B:LEU33 3.9 43.7 1.0 O J:THR47 4.1 43.0 1.0 CG2 J:THR47 4.1 51.0 1.0 N J:GLY50 4.3 47.0 1.0 CB J:THR47 4.3 49.9 1.0 C J:THR47 4.4 44.1 1.0 O J:ASN46 4.5 37.4 1.0 CD2 J:LEU81 4.5 47.5 1.0 C J:GLY50 4.6 40.6 1.0 NE B:ARG69 4.6 49.8 0.5 NE B:ARG69 4.7 53.0 0.5 N J:THR47 4.7 39.5 1.0 N J:GLN51 4.7 40.4 1.0 NH2 B:ARG69 4.9 44.2 0.5 C J:ASN46 4.9 33.2 1.0

Chlorine binding site 5 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl188 b:45.6 occ:1.00 NH2 D:ARG69 3.0 39.3 0.5 NH1 C:ARG77 3.1 44.8 1.0 NH2 C:ARG77 3.3 42.3 1.0 NH1 D:ARG69 3.4 38.1 0.5 CZ D:ARG69 3.6 43.0 0.5 O D:HOH1489 3.6 61.7 1.0 CZ C:ARG77 3.7 35.8 1.0 CA C:GLY50 3.7 35.8 1.0 CA C:THR47 3.8 37.9 1.0 CD1 D:LEU33 3.9 50.8 1.0 CG2 C:THR47 4.0 50.0 1.0 O C:THR47 4.1 35.4 1.0 N C:GLY50 4.2 35.0 1.0 CB C:THR47 4.2 44.6 1.0 CD2 C:LEU81 4.3 35.8 1.0 O C:ASN46 4.4 36.0 1.0 C C:THR47 4.5 34.1 1.0 C C:GLY50 4.5 38.1 1.0 N C:GLN51 4.7 36.0 1.0 N C:THR47 4.7 36.5 1.0 O C:HOH1490 4.7 73.6 1.0 NH1 D:ARG69 4.8 38.2 0.5 NE D:ARG69 4.8 48.2 0.5 C C:ASN46 4.9 37.7 1.0 NZ C:LYS54 4.9 66.0 1.0 O D:HOH389 5.0 44.3 0.5 NE C:ARG77 5.0 35.8 1.0

Chlorine binding site 6 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl188 b:43.5 occ:1.00 NH1 D:ARG77 3.2 34.3 1.0 NH2 H:ARG69 3.3 36.0 0.5 NH2 D:ARG77 3.4 32.9 1.0 CZ D:ARG77 3.7 39.5 1.0 CD1 H:LEU33 3.8 39.1 1.0 CA D:GLY50 3.8 31.1 1.0 CA D:THR47 3.9 36.7 1.0 CG2 D:THR47 4.1 36.7 1.0 O D:THR47 4.2 32.9 1.0 CZ H:ARG69 4.3 46.9 0.5 N D:GLY50 4.4 34.9 1.0 CB D:THR47 4.4 40.3 1.0 O D:ASN46 4.4 34.8 1.0 C D:THR47 4.5 35.0 1.0 C D:GLY50 4.5 35.2 1.0 NH1 H:ARG69 4.6 47.1 0.5 CD2 D:LEU81 4.6 47.2 1.0 O D:HOH656 4.7 64.5 1.0 N D:THR47 4.7 34.2 1.0 N D:GLN51 4.7 34.0 1.0 NH2 H:ARG69 4.8 19.5 0.2 C D:ASN46 4.9 30.9 1.0

Chlorine binding site 7 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl188 b:55.2 occ:1.00 NH2 I:ARG69 3.0 39.7 0.5 NH1 E:ARG77 3.3 41.1 1.0 NH2 E:ARG77 3.4 41.7 1.0 NH1 I:ARG69 3.4 47.9 0.5 CZ I:ARG69 3.6 48.5 0.5 CA E:GLY50 3.7 39.2 1.0 CZ E:ARG77 3.8 44.4 1.0 CA E:THR47 3.8 45.0 1.0 CD1 I:LEU33 4.0 55.2 1.0 O E:THR47 4.1 39.7 1.0 CG2 E:THR47 4.2 50.5 1.0 CB E:THR47 4.3 49.0 1.0 N E:GLY50 4.4 44.6 1.0 C E:THR47 4.4 43.0 1.0 O E:ASN46 4.4 43.2 1.0 C E:GLY50 4.4 44.0 1.0 CD2 E:LEU81 4.6 47.6 1.0 N E:GLN51 4.6 39.3 1.0 N E:THR47 4.7 43.5 1.0 C E:ASN46 4.9 47.0 1.0 NZ E:LYS54 4.9 85.1 1.0 NE I:ARG69 5.0 55.5 0.5

Chlorine binding site 8 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl188 b:44.8 occ:1.00 NH2 E:ARG69 3.0 37.7 0.5 NH1 F:ARG77 3.2 31.2 1.0 NH2 F:ARG77 3.4 38.1 1.0 NH1 E:ARG69 3.7 41.0 0.5 CA F:GLY50 3.7 43.0 1.0 CZ E:ARG69 3.7 39.2 0.5 CZ F:ARG77 3.8 44.7 1.0 CD1 E:LEU33 3.9 45.0 1.0 CA F:THR47 3.9 38.2 1.0 O F:THR47 4.2 40.6 1.0 CG2 F:THR47 4.3 48.9 1.0 N F:GLY50 4.3 41.4 1.0 NH1 E:ARG69 4.3 36.7 0.5 CB F:THR47 4.4 43.8 1.0 O F:ASN46 4.5 32.3 1.0 C F:GLY50 4.5 37.7 1.0 C F:THR47 4.6 43.6 1.0 CD2 F:LEU81 4.6 57.8 1.0 N F:GLN51 4.7 38.7 1.0 N F:THR47 4.8 38.0 1.0 NZ F:LYS54 4.9 76.8 1.0 NE E:ARG69 4.9 48.1 0.5 C F:ASN46 5.0 26.6 1.0

Chlorine binding site 9 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


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 Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl191 b:89.1 occ:1.00 NH1 G:ARG32 2.7 91.9 1.0 NH2 F:ARG32 3.0 80.5 1.0 NH1 I:ARG32 3.3 79.5 1.0 O G:HOH289 3.6 47.5 1.0 CZ G:ARG32 3.8 83.9 1.0 CZ I:ARG32 3.9 78.1 1.0 NH2 G:ARG32 4.1 86.7 1.0 CZ F:ARG32 4.2 79.2 1.0 NE I:ARG32 4.5 72.8 1.0 NH2 I:ARG32 4.5 74.3 1.0 CZ E:ARG32 4.6 69.0 1.0 NE E:ARG32 4.6 58.6 1.0 OH E:TYR34 4.8 48.7 1.0 NH2 E:ARG32 4.8 64.8 1.0 OH I:TYR34 4.8 46.9 1.0 NH1 E:ARG32 4.8 69.9 1.0 NE F:ARG32 4.9 69.4 1.0 O E:HOH1359 5.0 42.6 1.0

Chlorine binding site 10 out of 13 in the Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Probable Yrbi Family Phosphatase From Pseudomonas Syringae Pv.Phaseolica 1448A Complexed with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl188 b:48.0 occ:1.00 NH1 F:ARG69 2.9 35.2 0.5 NH1 G:ARG77 3.3 41.8 1.0 NH2 G:ARG77 3.4 37.6 1.0 CA G:GLY50 3.7 41.5 1.0 CZ G:ARG77 3.8 46.1 1.0 CA G:THR47 3.8 38.9 1.0 CD1 F:LEU33 3.9 47.0 1.0 CZ F:ARG69 4.0 47.4 0.5 CG2 G:THR47 4.0 37.3 1.0 O G:HOH305 4.0 75.0 1.0 O G:THR47 4.1 38.9 1.0 CB G:THR47 4.3 43.9 1.0 NH2 F:ARG69 4.3 37.9 0.5 N G:GLY50 4.3 38.4 1.0 CD2 G:LEU81 4.4 48.6 1.0 NZ G:LYS54 4.4 72.3 1.0 C G:THR47 4.5 39.2 1.0 C G:GLY50 4.5 40.8 1.0 O G:ASN46 4.5 36.0 1.0 NH1 F:ARG69 4.7 39.9 0.5 N G:THR47 4.7 35.6 1.0 N G:GLN51 4.7 42.0 1.0 O G:HOH309 4.9 69.8 1.0 C G:ASN46 4.9 39.0 1.0

Y.Patskovsky, U.Ramagopal, R.Toro, J.Freeman, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of Had Family Hydrolase From Pseudomonas Syringae Pv.Phaseolica 1448A To Be Published.