Chlorine in PDB 1yf9: Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2

The structure of Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2, PDB code: 1yf9 was solved by Structural Genomics Of Pathogenic Protozoa Consortium (Sgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.448, 114.448, 139.547, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 21

The binding sites of Chlorine atom in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 (pdb code 1yf9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2, PDB code: 1yf9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:35.3 occ:1.00 O C:HOH633 3.0 34.2 1.0 NH2 A:ARG23 3.2 38.3 1.0 O C:HOH615 3.3 33.3 1.0 ND2 C:ASN123 3.3 43.0 1.0 O A:HOH651 3.4 51.1 1.0 NH1 A:ARG23 3.4 40.2 1.0 CZ A:ARG23 3.8 40.6 1.0 CB C:ASN123 3.8 43.1 1.0 CG1 C:VAL96 3.9 45.2 1.0 CG C:ASN123 4.1 45.4 1.0 CD1 C:LEU118 4.1 46.2 1.0 CE1 C:PHE114 4.3 46.3 1.0 SD A:MET19 4.6 34.5 1.0 CD1 C:PHE114 4.7 48.9 1.0 OG1 C:THR100 4.7 52.8 1.0 CA C:ASN123 4.8 45.3 1.0 O C:HOH663 4.9 52.8 1.0 O C:VAL96 5.0 45.7 1.0

Chlorine binding site 2 out of 6 in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:75.6 occ:1.00 O A:HOH671 3.7 37.5 1.0 OH A:TYR21 3.8 47.3 1.0 C A:THR36 4.1 45.8 1.0 O A:SER34 4.1 46.1 1.0 O A:ASP35 4.1 45.6 1.0 C A:ASP35 4.1 46.1 1.0 N A:THR36 4.2 45.2 1.0 CA A:THR36 4.3 46.1 1.0 O A:THR36 4.3 46.0 1.0 CZ A:TYR21 4.3 46.4 1.0 N A:VAL37 4.4 45.5 1.0 CE2 A:TYR21 4.4 45.8 1.0 CB A:PRO33 4.7 44.8 1.0 CG1 A:VAL37 4.8 48.7 1.0 CA A:ASP35 4.9 45.1 1.0 C A:SER34 4.9 45.4 1.0 CA A:VAL37 5.0 45.8 1.0

Chlorine binding site 3 out of 6 in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl400 b:36.8 occ:1.00 O A:HOH676 3.0 32.8 1.0 O A:HOH616 3.1 36.3 1.0 NH2 B:ARG23 3.2 38.8 1.0 NH1 B:ARG23 3.3 38.4 1.0 ND2 A:ASN123 3.4 44.4 1.0 CZ B:ARG23 3.7 41.4 1.0 CB A:ASN123 3.9 43.5 1.0 CD1 A:LEU118 4.1 45.4 1.0 CG A:ASN123 4.1 46.2 1.0 CE1 A:PHE114 4.2 46.4 1.0 CD1 A:PHE114 4.6 46.0 1.0 SD B:MET19 4.6 35.9 1.0 O B:HOH536 4.6 53.3 1.0 OG1 A:THR100 4.7 44.2 0.5 CG2 A:THR100 4.8 49.0 0.5 CA A:ASN123 4.8 45.3 1.0 CB A:LEU118 4.9 43.8 1.0

Chlorine binding site 4 out of 6 in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:86.5 occ:1.00 OH B:TYR21 4.0 47.0 1.0 O B:ASP35 4.3 45.7 1.0 O B:HOH555 4.3 42.9 1.0 CG1 B:VAL37 4.3 48.0 1.0 C B:THR36 4.3 46.0 1.0 CE2 B:TYR21 4.4 46.6 1.0 N B:VAL37 4.4 45.4 1.0 CZ B:TYR21 4.4 47.1 1.0 C B:ASP35 4.5 46.1 1.0 CA B:THR36 4.5 46.2 1.0 N B:THR36 4.6 45.4 1.0 O B:THR36 4.6 45.9 1.0 O B:SER34 4.7 46.2 1.0 O B:HOH502 4.8 39.1 1.0 CA B:VAL37 5.0 46.0 1.0

Chlorine binding site 5 out of 6 in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl500 b:42.4 occ:1.00 O B:HOH521 3.0 36.8 1.0 NH2 C:ARG23 3.1 36.1 1.0 O B:HOH509 3.2 39.2 1.0 ND2 B:ASN123 3.3 44.5 1.0 NH1 C:ARG23 3.4 36.8 1.0 CZ C:ARG23 3.7 39.8 1.0 CG1 B:VAL96 3.8 33.8 0.5 CB B:ASN123 3.8 44.0 1.0 O C:HOH701 3.9 58.9 1.0 O C:HOH702 3.9 57.2 1.0 CD1 B:LEU118 4.0 43.0 1.0 CG B:ASN123 4.0 45.8 1.0 CE1 B:PHE114 4.2 44.6 1.0 SD C:MET19 4.5 34.3 1.0 CD1 B:PHE114 4.6 47.6 1.0 CA B:ASN123 4.7 45.1 1.0 OG1 B:THR100 4.7 49.4 1.0 O B:VAL96 4.9 45.8 1.0 CB B:VAL96 5.0 45.2 0.5

Chlorine binding site 6 out of 6 in the Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:89.0 occ:1.00 O C:ASP35 4.1 45.8 1.0 C C:THR36 4.1 46.0 1.0 N C:VAL37 4.2 45.2 1.0 OH C:TYR21 4.2 46.8 1.0 CA C:THR36 4.3 46.2 1.0 O C:HOH609 4.3 43.5 1.0 CG1 C:VAL37 4.3 48.0 1.0 C C:ASP35 4.4 46.0 1.0 CE2 C:TYR21 4.4 47.2 1.0 N C:THR36 4.5 45.3 1.0 O C:THR36 4.5 46.0 1.0 CZ C:TYR21 4.5 47.1 1.0 O C:HOH606 4.6 37.2 1.0 O C:SER34 4.8 46.1 1.0 CA C:VAL37 4.8 46.0 1.0

J.Bosch, W.G.J.Hol. Structural Analysis of Leishmania Major Ubiquitin Conjugating Enzyme E2 To Be Published.