Chlorine in PDB 4u18: Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2)

All present enzymatic activity of Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2):
5.3.3.8;

The structure of Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2), PDB code: 4u18 was solved by G.U.Onwukwe, M.K.Koski, R.K.Wierenga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.12 / 2.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.428, 91.915, 130.368, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 26.2

The binding sites of Chlorine atom in the Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2) (pdb code 4u18). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2), PDB code: 4u18:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2)


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 Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:85.5 occ:1.00 OD1 A:ASN165 3.7 77.0 1.0 CB A:ASN185 4.1 58.9 1.0 OH A:TYR134 4.1 51.1 1.0 O A:ASN185 4.1 57.1 1.0 CZ A:TYR134 4.2 56.0 1.0 CE2 A:TYR134 4.3 58.1 1.0 CH2 A:TRP340 4.3 65.3 1.0 CG A:ASN185 4.4 59.9 1.0 CZ2 A:TRP340 4.5 66.0 1.0 CG A:ASN165 4.6 69.1 1.0 CA A:ASN185 4.7 57.3 1.0 C A:ASN185 4.7 57.8 1.0 CB A:LEU189 4.8 57.3 1.0 OD1 A:ASN185 4.8 60.8 1.0 ND2 A:ASN185 4.8 60.8 1.0 CE1 A:TYR134 4.9 54.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2)


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 Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:0.9 occ:1.00 CB B:ASN185 3.7 0.7 1.0 O B:ASN185 3.7 0.2 1.0 CG B:ASN185 3.9 0.9 1.0 CA B:ASN185 3.9 0.2 1.0 CD2 B:LEU188 3.9 99.5 1.0 OD1 B:ASN185 4.0 0.5 1.0 C B:ASN185 4.2 0.6 1.0 CE2 B:TYR134 4.3 0.7 1.0 OD1 B:ASN165 4.4 89.4 1.0 CZ B:TYR134 4.5 0.1 1.0 ND2 B:ASN185 4.6 0.2 1.0 CG B:LEU188 4.6 96.8 1.0 CD2 B:TYR134 4.6 0.6 1.0 CB B:LEU188 4.6 87.6 1.0 N B:LEU189 4.8 82.7 1.0 OH B:TYR134 4.8 0.7 1.0 CB B:LEU189 4.9 87.8 1.0 CH2 B:TRP340 4.9 96.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2)


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 Human Peroxisomal DELTA3,DELTA2, Enoyl-Coa Isomerase (Iso-ECI2) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:0.2 occ:1.00 OD1 C:ASN165 4.0 79.5 1.0 CE2 C:TYR134 4.0 63.8 1.0 O C:ASN185 4.0 84.5 1.0 CB C:ASN185 4.0 86.9 1.0 CZ C:TYR134 4.2 71.8 1.0 CG C:ASN185 4.3 84.5 1.0 CA C:ASN185 4.3 79.6 1.0 OH C:TYR134 4.4 72.5 1.0 CD2 C:LEU188 4.5 62.5 1.0 CD2 C:TYR134 4.5 64.8 1.0 OD1 C:ASN185 4.5 81.7 1.0 C C:ASN185 4.5 78.1 1.0 CH2 C:TRP340 4.7 97.6 1.0 ND2 C:ASN185 4.8 81.9 1.0 CB C:LEU189 4.8 56.5 1.0 CE1 C:TYR134 4.8 77.0 1.0 N C:LEU189 5.0 54.9 1.0

G.U.Onwukwe, P.Kursula, M.K.Koski, W.Schmitz, R.K.Wierenga. Human Delta 3, DELTA2-Enoyl-Coa Isomerase, Type-2: A Structural Enzymology Study on the Catalytic Role of Its Acbp-Domain and Helix-10. Febs J. 2014.
ISSN: ISSN 1742-464X
DOI: 10.1111/FEBS.13179