Chlorine in PDB 4ien: Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18

All present enzymatic activity of Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18:
3.1.2.20;

The structure of Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18, PDB code: 4ien was solved by Y.B.Khandokar, J.K.Forwood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.95 / 2.00
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	152.520, 152.520, 152.520, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19.4

The binding sites of Chlorine atom in the Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18 (pdb code 4ien). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18, PDB code: 4ien:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18


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 Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.5 occ:1.00 O B:HOH354 2.8 27.5 1.0 N B:THR56 3.2 14.9 1.0 O A:HOH303 3.2 16.5 1.0 N A:GLY31 3.2 15.8 1.0 ND2 A:ASN24 3.4 18.8 1.0 CA B:VAL55 3.7 17.0 1.0 C3P B:COA202 3.7 13.0 1.0 OG1 B:THR56 3.8 16.4 1.0 CA A:GLY31 3.8 16.4 1.0 N4P B:COA202 3.9 13.8 1.0 CB B:THR56 3.9 16.5 1.0 C B:VAL55 4.0 16.4 1.0 CB B:VAL55 4.0 19.1 1.0 CA B:THR56 4.1 15.0 1.0 ND1 A:HIS30 4.2 18.0 1.0 C A:HIS30 4.3 15.6 1.0 CA A:HIS30 4.4 15.3 1.0 CG1 B:VAL55 4.5 18.1 1.0 O A:VAL29 4.5 16.0 1.0 C5P B:COA202 4.6 14.1 1.0 CG A:ASN24 4.6 19.0 1.0 O B:CYS54 4.7 21.3 1.0 CE1 B:TYR43 4.7 21.8 1.0 CD1 B:TYR43 4.7 22.7 1.0 CE1 A:HIS30 4.8 17.4 1.0 O B:THR56 4.8 14.7 1.0 OD2 B:ASP39 4.9 15.1 1.0 C B:THR56 5.0 15.5 1.0 O5P B:COA202 5.0 16.4 1.0 N B:VAL55 5.0 17.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18


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 Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:14.3 occ:1.00 O A:HOH377 2.9 33.0 1.0 N B:GLY31 3.1 14.3 1.0 O B:HOH301 3.2 16.1 1.0 N A:THR56 3.2 14.2 1.0 ND2 B:ASN24 3.4 18.5 1.0 CA A:VAL55 3.7 14.6 1.0 C3P A:COA201 3.7 14.0 1.0 CA B:GLY31 3.8 14.8 1.0 OG1 A:THR56 3.8 16.4 1.0 N4P A:COA201 3.9 12.8 1.0 C A:VAL55 3.9 16.2 1.0 CB A:THR56 4.0 16.8 1.0 CB A:VAL55 4.0 15.2 1.0 CA A:THR56 4.1 13.7 1.0 C B:HIS30 4.2 14.9 1.0 ND1 B:HIS30 4.2 21.1 1.0 CA B:HIS30 4.3 16.2 1.0 CG1 A:VAL55 4.5 15.2 1.0 O B:VAL29 4.5 15.5 1.0 C5P A:COA201 4.5 14.1 1.0 CG B:ASN24 4.6 19.7 1.0 CE1 A:TYR43 4.7 23.1 1.0 CD1 A:TYR43 4.7 22.8 1.0 O A:CYS54 4.7 18.1 1.0 CE1 B:HIS30 4.8 21.9 1.0 O A:THR56 4.8 15.9 1.0 O5P A:COA201 4.9 14.6 1.0 OD2 A:ASP39 4.9 15.4 1.0 N A:VAL55 5.0 15.1 1.0 C A:THR56 5.0 14.8 1.0 CG B:HIS30 5.0 19.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18


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 Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:15.6 occ:1.00 O D:HOH360 2.8 30.0 1.0 O C:HOH303 3.1 17.3 1.0 N C:GLY31 3.1 15.5 1.0 N D:THR56 3.2 15.5 1.0 ND2 C:ASN24 3.4 20.8 1.0 CA C:GLY31 3.7 17.3 1.0 CA D:VAL55 3.7 16.7 1.0 OG1 D:THR56 3.8 17.9 1.0 C3P D:COA202 3.8 13.3 1.0 N4P D:COA202 3.9 13.6 1.0 C D:VAL55 4.0 15.7 1.0 CB D:VAL55 4.0 18.0 1.0 CB D:THR56 4.0 16.9 1.0 CA D:THR56 4.1 15.3 1.0 ND1 C:HIS30 4.2 19.0 1.0 C C:HIS30 4.2 16.9 1.0 CA C:HIS30 4.3 17.2 1.0 CG1 D:VAL55 4.5 18.9 1.0 C5P D:COA202 4.5 14.1 1.0 O C:VAL29 4.5 17.2 1.0 CG C:ASN24 4.6 18.9 1.0 O D:CYS54 4.7 19.0 1.0 CE1 C:HIS30 4.7 20.5 1.0 CE1 D:TYR43 4.8 23.3 1.0 CD1 D:TYR43 4.8 23.9 1.0 O D:THR56 4.8 16.2 1.0 O5P D:COA202 4.8 13.8 1.0 OD1 D:ASP39 4.9 17.7 1.0 N D:VAL55 4.9 16.4 1.0 CG C:HIS30 4.9 18.8 1.0 C D:THR56 5.0 16.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18


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 Acyl-Coa Hydrolase From Neisseria Meningitidis FAM18 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:16.4 occ:1.00 O C:HOH362 2.9 32.5 1.0 O D:HOH314 3.2 20.8 1.0 N D:GLY31 3.2 16.5 1.0 N C:THR56 3.2 17.8 1.0 ND2 D:ASN24 3.4 21.9 1.0 CA C:VAL55 3.7 17.8 1.0 CA D:GLY31 3.8 17.5 1.0 C3P C:COA201 3.8 14.0 1.0 OG1 C:THR56 3.8 17.8 1.0 N4P C:COA201 3.8 15.0 1.0 CB C:VAL55 4.0 17.7 1.0 C C:VAL55 4.0 16.2 1.0 CB C:THR56 4.0 16.9 1.0 CA C:THR56 4.2 15.8 1.0 ND1 D:HIS30 4.2 18.6 1.0 C D:HIS30 4.3 18.5 1.0 CA D:HIS30 4.4 16.8 1.0 CG1 C:VAL55 4.4 19.0 1.0 C5P C:COA201 4.5 16.0 1.0 O D:VAL29 4.5 18.4 1.0 CG D:ASN24 4.6 21.4 1.0 O C:CYS54 4.7 22.1 1.0 CE1 C:TYR43 4.7 23.2 1.0 CD1 C:TYR43 4.7 23.1 1.0 O C:THR56 4.8 16.7 1.0 CE1 D:HIS30 4.8 21.0 1.0 O5P C:COA201 4.8 15.1 1.0 N C:VAL55 4.9 17.1 1.0 C C:THR56 5.0 16.4 1.0

Y.B.Khandokar, A.Londhe, S.Patil, J.K.Forwood. Expression, Purification and Crystallization of Acetyl-Coa Hydrolase From Neisseria Meningitidis. Acta Crystallogr.,Sect.F V. 69 1303 2013.
ISSN: ESSN 1744-3091
PubMed: 24192375
DOI: 10.1107/S1744309113028042