Chlorine in PDB 8fbm: Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1

The structure of Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1, PDB code: 8fbm was solved by B.L.Staker, M.Fenwick, Seattle Structural Genomics Center Forinfectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.79 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.036, 88.332, 98.322, 90, 97.67, 90
R / Rfree (%)	14.8 / 19

The binding sites of Chlorine atom in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 (pdb code 8fbm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1, PDB code: 8fbm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1


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 Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:29.3 occ:1.00 CL17 A:XOF502 0.0 29.3 1.0 C16 A:XOF502 1.8 21.3 1.0 C18 A:XOF502 2.7 15.1 1.0 C15 A:XOF502 2.8 18.4 1.0 H151 A:XOF502 2.9 22.1 1.0 C20 A:XOF502 3.0 23.1 1.0 HD13 A:LEU444 3.1 30.1 1.0 HA3 A:GLY442 3.3 29.4 1.0 O21 A:XOF502 3.4 29.3 1.0 H A:ARG443 3.5 28.8 1.0 N A:ARG443 3.5 24.0 1.0 HD2 A:TYR225 3.5 29.4 1.0 O A:HOH953 3.5 33.2 1.0 C A:ARG443 3.5 22.9 1.0 O A:HOH813 3.6 29.2 1.0 O A:ARG443 3.6 19.4 1.0 C A:GLY442 3.7 25.8 1.0 N22 A:XOF502 3.8 20.0 1.0 N A:LEU444 3.9 17.2 1.0 CA A:ARG443 3.9 24.7 1.0 H221 A:XOF502 3.9 24.0 1.0 HA2 A:GLY213 4.0 26.2 1.0 C19 A:XOF502 4.0 17.5 1.0 CA A:GLY442 4.0 24.5 1.0 HA A:ARG443 4.0 29.6 1.0 C14 A:XOF502 4.0 16.2 1.0 HE2 A:TYR225 4.0 29.0 1.0 HB2 A:LEU444 4.1 27.4 1.0 CD1 A:LEU444 4.1 25.1 1.0 HA A:LEU444 4.1 23.1 1.0 H A:LEU444 4.2 20.6 1.0 H241 A:XOF502 4.2 21.4 1.0 CD2 A:TYR225 4.3 24.5 1.0 O A:GLY442 4.3 32.2 1.0 HD12 A:LEU444 4.4 30.1 1.0 CA A:LEU444 4.4 19.2 1.0 HA3 A:GLY213 4.4 26.2 1.0 HA2 A:GLY442 4.5 29.4 1.0 C13 A:XOF502 4.5 22.7 1.0 HD11 A:LEU444 4.6 30.1 1.0 CE2 A:TYR225 4.6 24.1 1.0 O A:HOH725 4.6 30.5 1.0 CB A:LEU444 4.6 22.9 1.0 O A:THR441 4.6 29.4 1.0 CA A:GLY213 4.7 21.8 1.0 O A:HOH611 4.7 37.0 1.0 C23 A:XOF502 4.8 16.6 1.0 H191 A:XOF502 4.8 21.0 1.0 C24 A:XOF502 4.9 17.8 1.0 H141 A:XOF502 4.9 19.5 1.0 HD22 A:LEU444 4.9 25.1 1.0 CG A:LEU444 4.9 26.2 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1


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 Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:32.6 occ:1.00 HE A:ARG187 2.3 38.5 1.0 HH21 A:ARG187 2.5 34.2 1.0 HG2 A:PRO190 2.8 23.4 1.0 O A:HOH724 3.0 27.1 1.0 HB3 A:ARG187 3.1 31.6 1.0 NE A:ARG187 3.1 32.1 1.0 O A:HOH1020 3.2 44.9 1.0 NH2 A:ARG187 3.2 28.5 1.0 HB2 A:PHE44 3.4 23.5 1.0 CZ A:ARG187 3.6 37.4 1.0 HB2 A:PRO190 3.7 20.6 1.0 CG A:PRO190 3.7 19.5 1.0 HH22 A:ARG187 3.9 34.2 1.0 CB A:PRO190 4.0 17.2 1.0 HG3 A:ARG187 4.0 35.4 1.0 CB A:ARG187 4.0 26.3 1.0 HB3 A:PRO190 4.1 20.6 1.0 HG3 A:PRO190 4.1 23.4 1.0 CD A:ARG187 4.3 32.0 1.0 HB2 A:LYS43 4.3 28.8 1.0 CG A:ARG187 4.3 29.5 1.0 CB A:PHE44 4.3 19.6 1.0 HB3 A:LYS43 4.6 28.8 1.0 HE2 A:LYS43 4.6 67.7 1.0 HA A:ARG187 4.6 25.3 1.0 HB2 A:ARG187 4.6 31.6 1.0 HD2 A:PRO190 4.6 25.6 1.0 HA A:PHE44 4.6 23.0 1.0 HB3 A:PHE44 4.7 23.5 1.0 CD A:PRO190 4.8 21.3 1.0 O A:ARG187 4.8 22.6 1.0 N A:PHE44 4.8 20.6 1.0 O A:LYS43 4.8 24.0 1.0 HD2 A:ARG187 4.8 38.4 1.0 HD3 A:ARG187 4.8 38.4 1.0 C A:LYS43 4.9 28.1 1.0 CA A:ARG187 4.9 21.1 1.0 CA A:PHE44 4.9 19.1 1.0 CB A:LYS43 4.9 24.1 1.0 HD1 A:PHE44 4.9 24.0 1.0 NH1 A:ARG187 4.9 39.2 1.0 HZ2 A:LYS194 4.9 50.5 1.0 H4X A:MYA501 4.9 24.9 1.0 O A:HOH614 5.0 53.9 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1


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 Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:41.9 occ:1.00 HH22 A:ARG73 2.3 30.0 1.0 H A:LYS78 2.5 28.1 1.0 O A:HOH1008 2.7 46.5 1.0 HH12 A:ARG73 2.9 35.0 1.0 NH2 A:ARG73 3.1 25.1 1.0 O A:HOH875 3.2 31.7 1.0 HA A:TYR77 3.2 27.4 1.0 HB2 A:LYS78 3.3 46.0 1.0 HG3 A:LYS78 3.3 63.1 1.0 N A:LYS78 3.4 23.4 1.0 HD1 A:TYR77 3.4 25.7 1.0 NH1 A:ARG73 3.5 29.1 1.0 HH21 A:ARG73 3.6 30.0 1.0 CZ A:ARG73 3.7 30.8 1.0 CB A:LYS78 3.9 38.4 1.0 HD2 A:LYS78 4.0 78.6 1.0 CG A:LYS78 4.0 52.5 1.0 CA A:TYR77 4.0 22.8 1.0 CD1 A:TYR77 4.2 21.4 1.0 C A:TYR77 4.2 24.7 1.0 CA A:LYS78 4.2 27.1 1.0 HB3 A:TYR77 4.3 26.4 1.0 HH11 A:ARG73 4.3 35.0 1.0 CD A:LYS78 4.5 65.5 1.0 CB A:TYR77 4.6 22.0 1.0 HZ2 A:LYS78 4.7 106.5 1.0 O A:ILE76 4.8 27.0 1.0 O A:LYS78 4.8 28.5 1.0 HB3 A:LYS78 4.8 46.0 1.0 CG A:TYR77 4.8 22.5 1.0 HG2 A:LYS78 4.8 63.1 1.0 HE1 A:TYR77 4.9 22.9 1.0 CE1 A:TYR77 5.0 19.2 1.0 NE A:ARG73 5.0 26.6 1.0 HA A:LYS78 5.0 32.5 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1


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 Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:38.4 occ:1.00 CL17 B:XOF502 0.0 38.4 1.0 C16 B:XOF502 1.8 32.6 1.0 HA3 B:GLY442 2.7 41.0 1.0 C18 B:XOF502 2.7 25.3 1.0 C15 B:XOF502 2.8 30.8 1.0 H151 B:XOF502 3.0 37.0 1.0 HD13 B:LEU444 3.0 32.1 1.0 C20 B:XOF502 3.1 32.3 1.0 H B:ARG443 3.4 29.6 1.0 N B:ARG443 3.4 24.7 1.0 HD2 B:TYR225 3.4 35.8 1.0 O21 B:XOF502 3.5 29.5 1.0 C B:GLY442 3.5 34.0 1.0 CA B:GLY442 3.5 34.2 1.0 O B:HOH754 3.5 37.6 1.0 O B:HOH762 3.6 37.1 1.0 C B:ARG443 3.8 23.5 1.0 O B:ARG443 3.8 20.5 1.0 N22 B:XOF502 3.8 19.4 1.0 HA2 B:GLY213 3.9 26.8 1.0 CD1 B:LEU444 3.9 26.7 1.0 HE2 B:TYR225 4.0 28.4 1.0 HD12 B:LEU444 4.0 32.1 1.0 HA2 B:GLY442 4.0 41.0 1.0 H221 B:XOF502 4.0 23.4 1.0 C19 B:XOF502 4.0 24.8 1.0 C14 B:XOF502 4.1 27.7 1.0 CA B:ARG443 4.1 24.7 1.0 N B:LEU444 4.1 17.3 1.0 O B:GLY442 4.2 34.0 1.0 HB2 B:LEU444 4.2 28.3 1.0 H241 B:XOF502 4.2 25.1 1.0 CD2 B:TYR225 4.2 29.8 1.0 HA B:LEU444 4.3 25.9 1.0 HA B:ARG443 4.3 29.7 1.0 HA3 B:GLY213 4.3 26.8 1.0 HD11 B:LEU444 4.3 32.1 1.0 H B:LEU444 4.5 20.8 1.0 CE2 B:TYR225 4.5 23.7 1.0 H B:GLY442 4.6 35.7 1.0 CA B:GLY213 4.6 22.3 1.0 CA B:LEU444 4.6 21.6 1.0 C13 B:XOF502 4.6 23.3 1.0 N B:GLY442 4.6 29.7 1.0 CB B:LEU444 4.7 23.6 1.0 C23 B:XOF502 4.9 16.9 1.0 H191 B:XOF502 4.9 29.8 1.0 CG B:LEU444 4.9 35.5 1.0 C24 B:XOF502 4.9 20.9 1.0 H141 B:XOF502 4.9 33.2 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1


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 Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:43.9 occ:1.00 H B:LYS78 2.2 34.9 1.0 HH22 B:ARG73 2.7 30.5 1.0 HB2 B:LYS78 2.8 43.1 1.0 HH12 B:ARG73 3.0 40.9 1.0 O A:HOH631 3.0 37.0 1.0 N B:LYS78 3.1 29.0 1.0 O B:HOH758 3.1 38.1 1.0 HA B:TYR77 3.3 33.5 1.0 NH2 B:ARG73 3.4 25.4 1.0 HG3 B:LYS78 3.4 68.5 1.0 HD1 B:TYR77 3.5 27.4 1.0 CB B:LYS78 3.6 35.9 1.0 NH1 B:ARG73 3.6 34.0 1.0 CZ B:ARG73 3.9 25.6 1.0 CA B:LYS78 3.9 28.8 1.0 HH21 B:ARG73 4.0 30.5 1.0 CA B:TYR77 4.0 27.9 1.0 CG B:LYS78 4.0 57.1 1.0 C B:TYR77 4.0 26.4 1.0 HB3 B:TYR77 4.1 27.1 1.0 O A:HOH1051 4.2 32.9 1.0 HH11 B:ARG73 4.3 40.9 1.0 CD1 B:TYR77 4.3 22.8 1.0 HB3 B:LYS78 4.4 43.1 1.0 CB B:TYR77 4.5 22.6 1.0 O B:LYS78 4.6 35.6 1.0 HA B:LYS78 4.6 34.6 1.0 HG2 B:LYS78 4.7 68.5 1.0 HD3 B:LYS78 4.7 83.0 1.0 C B:LYS78 4.7 32.6 1.0 CG B:TYR77 4.9 25.1 1.0 O B:ILE76 4.9 24.3 1.0 HE2 A:MET247 4.9 34.0 1.0 CD B:LYS78 5.0 69.1 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1


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 Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:41.9 occ:1.00 HE B:ARG445 2.2 33.4 1.0 HD21 B:ASN215 2.4 35.3 1.0 HD11 B:ILE222 2.8 43.4 1.0 HB2 B:ASN215 2.8 36.1 1.0 HH21 B:ARG445 2.9 40.9 1.0 NE B:ARG445 3.1 27.8 1.0 HD13 B:ILE222 3.1 43.4 1.0 ND2 B:ASN215 3.3 29.4 1.0 O B:HOH970 3.3 43.0 1.0 CD1 B:ILE222 3.4 36.1 1.0 HG2 B:ARG445 3.4 31.9 1.0 HG3 B:ARG445 3.5 31.9 1.0 NH2 B:ARG445 3.6 34.0 1.0 HG2 B:PRO219 3.6 35.8 1.0 HG3 B:PRO219 3.7 35.8 1.0 CB B:ASN215 3.7 30.1 1.0 CZ B:ARG445 3.8 33.9 1.0 HD22 B:ASN215 3.8 35.3 1.0 CG B:ARG445 3.8 26.5 1.0 CG B:ASN215 4.0 34.9 1.0 HD12 B:ILE222 4.1 43.4 1.0 CD B:ARG445 4.1 25.4 1.0 CG B:PRO219 4.1 29.8 1.0 HA B:ASN215 4.2 42.5 1.0 HG12 B:ILE222 4.2 34.1 1.0 HH22 B:ARG445 4.3 40.9 1.0 HB3 B:ASN215 4.4 36.1 1.0 HD3 B:PRO219 4.4 30.0 1.0 CG1 B:ILE222 4.5 28.4 1.0 CA B:ASN215 4.5 35.4 1.0 HD2 B:ARG445 4.6 30.5 1.0 CD B:PRO219 4.6 25.0 1.0 HD2 B:PRO219 4.7 30.0 1.0 HD3 B:ARG445 4.7 30.5 1.0 HG13 B:ILE222 4.9 34.1 1.0 N B:ASN215 5.0 25.9 1.0 H B:ASN215 5.0 31.1 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1


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 Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa and Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:36.8 occ:1.00 H B:ASP113 2.7 55.6 1.0 HB2 B:ASP112 2.8 36.9 1.0 HB2 B:ASP113 3.1 50.5 1.0 O B:HOH754 3.2 37.6 1.0 H091 B:XOF502 3.2 33.7 1.0 O B:HOH831 3.3 42.9 1.0 H B:GLY442 3.4 35.7 1.0 HB B:THR441 3.4 28.4 1.0 N B:ASP113 3.4 46.4 1.0 HA B:ASP112 3.5 41.2 1.0 HA3 B:GLY442 3.5 41.0 1.0 CB B:ASP112 3.7 30.8 1.0 N B:GLY442 3.8 29.7 1.0 CB B:ASP113 3.9 42.0 1.0 CA B:ASP112 4.0 34.3 1.0 CA B:GLY442 4.1 34.2 1.0 C15 B:XOF502 4.2 30.8 1.0 H021 B:XOF502 4.2 45.3 1.0 HA2 B:GLY442 4.2 41.0 1.0 C09 B:XOF502 4.2 28.1 1.0 C B:ASP112 4.2 30.2 1.0 HB3 B:ASP112 4.2 36.9 1.0 HB3 B:ASP113 4.2 50.5 1.0 CA B:ASP113 4.3 43.8 1.0 C14 B:XOF502 4.3 27.7 1.0 HG22 B:THR441 4.3 34.0 1.0 C16 B:XOF502 4.4 32.6 1.0 CB B:THR441 4.4 23.7 1.0 H151 B:XOF502 4.4 37.0 1.0 HA B:ASP113 4.5 52.6 1.0 H141 B:XOF502 4.6 33.2 1.0 C13 B:XOF502 4.7 23.3 1.0 C18 B:XOF502 4.7 25.3 1.0 H081 B:XOF502 4.7 30.0 1.0 OD2 B:ASP112 4.7 34.9 1.0 CG B:ASP112 4.7 29.6 1.0 C B:THR441 4.7 29.9 1.0 CG2 B:THR441 4.7 28.3 1.0 HG21 B:THR441 4.8 34.0 1.0 C19 B:XOF502 4.8 24.8 1.0 O B:HOH676 4.9 40.5 1.0 C08 B:XOF502 4.9 25.0 1.0 H B:THR441 5.0 24.3 1.0

B.L.Staker, M.Fenwick. Crystal Structure of Cryptosporidium Parvum N-Myristoyltransferase with Bound Myristoyl-Coa To Be Published.