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

Protein crystallography data

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

Other elements in 1qbz:

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

Chlorine Binding Sites:

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 1qbz

Go back to Chlorine Binding Sites List in 1qbz
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 1qbz

Go back to Chlorine Binding Sites List in 1qbz
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 1qbz

Go back to Chlorine Binding Sites List in 1qbz
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

Reference:

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
Page generated: Sat Jul 20 01:30:56 2024

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