Chlorine in PDB 1qbz: The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A

The structure of The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A, PDB code: 1qbz was solved by Z.-N.Yang, T.C.Mueser, J.Kaufman, S.J.Stahl, P.T.Wingfield, C.C.Hyde, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.47
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.124, 47.206, 77.465, 90.00, 100.83, 90.00
R / Rfree (%)	15.2 / 21.8

The structure of The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A also contains other interesting chemical elements:

Mercury

(Hg)

2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A (pdb code 1qbz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A, PDB code: 1qbz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl8004 b:47.8 occ:1.00 O B:HOH8026 2.9 28.9 1.0 O B:HOH8009 3.1 23.3 1.0 O B:HOH8081 3.2 38.8 1.0 NE1 B:TRP98 3.2 45.8 1.0 ND2 B:ASN100 3.7 46.9 1.0 CG B:PRO105 3.8 20.8 1.0 CB B:ASN100 3.9 41.7 1.0 CD B:PRO105 4.1 19.6 1.0 CD1 B:TRP98 4.2 46.1 1.0 CE2 B:TRP98 4.2 45.9 1.0 CG B:ASN100 4.4 42.0 1.0 CB B:THR104 4.4 19.4 1.0 CB B:GLU72 4.4 12.1 1.0 CZ2 B:TRP98 4.4 46.6 1.0 CD B:LYS76 4.6 27.6 1.0 O B:HOH8008 4.6 18.6 1.0 N B:PRO105 4.6 18.5 1.0 O B:GLU72 4.7 12.1 1.0 CG2 B:THR104 4.8 27.8 1.0 O B:HOH8007 4.9 18.1 1.0 CB B:PRO105 5.0 20.6 1.0 CB B:LYS76 5.0 18.8 1.0 O B:HOH8050 5.0 39.0 1.0 C B:GLU72 5.0 12.6 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl8003 b:37.8 occ:1.00 O C:HOH8027 3.0 27.6 1.0 O C:HOH8056 3.0 31.1 1.0 NE1 C:TRP98 3.2 25.6 1.0 O C:HOH8071 3.2 31.8 1.0 ND2 C:ASN100 3.3 26.4 1.0 CG C:PRO105 3.6 25.5 1.0 CD C:PRO105 3.7 23.8 1.0 CB C:ASN100 3.7 25.1 1.0 CB C:THR104 4.0 19.8 1.0 CD1 C:TRP98 4.0 24.5 1.0 CG C:ASN100 4.1 27.8 1.0 CE2 C:TRP98 4.2 25.1 1.0 N C:PRO105 4.2 24.2 1.0 CG2 C:THR104 4.3 25.0 1.0 CD C:LYS76 4.4 27.3 1.0 CZ2 C:TRP98 4.6 26.6 1.0 CB C:PRO105 4.6 25.8 1.0 O C:HOH8015 4.7 25.8 1.0 O C:HOH8011 4.7 24.3 1.0 CB C:GLU72 4.7 11.1 1.0 CA C:PRO105 4.8 23.8 1.0 OG1 C:THR104 4.8 20.6 1.0 C C:THR104 4.8 23.1 1.0 O C:ALA101 4.8 27.4 1.0 O C:HOH8009 5.0 21.1 1.0 CA C:THR104 5.0 23.6 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl8005 b:45.0 occ:1.00 O C:HOH8043 2.9 44.9 1.0 O C:HOH8016 3.1 26.6 1.0 NZ C:LYS62 3.2 37.5 1.0 CD C:LYS62 3.7 21.1 1.0 CE C:LYS62 3.9 24.5 1.0 CA C:TRP59 3.9 13.2 1.0 CB C:TRP59 4.0 13.8 1.0 CD1 C:TRP59 4.1 18.7 1.0 N C:TRP59 4.3 13.2 1.0 CG C:TRP59 4.5 15.0 1.0 CG1 C:VAL58 4.6 19.5 1.0 O C:ARG55 4.9 11.7 1.0 C C:VAL58 4.9 11.9 1.0 CG C:LYS62 4.9 18.5 1.0 O C:HOH8010 5.0 20.9 1.0

Z.N.Yang, T.C.Mueser, J.Kaufman, S.J.Stahl, P.T.Wingfield, C.C.Hyde. The Crystal Structure of the Siv GP41 Ectodomain at 1.47 A Resolution. J.Struct.Biol. V. 126 131 1999.
ISSN: ISSN 1047-8477
PubMed: 10388624
DOI: 10.1006/JSBI.1999.4116