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Chlorine in PDB 6bq8: Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp

Enzymatic activity of Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp

All present enzymatic activity of Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp:
2.7.11.12;

Protein crystallography data

The structure of Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp, PDB code: 6bq8 was solved by C.Kim, A.Kovalevsky, O.Gerlits, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.650, 51.300, 68.200, 90.00, 90.00, 90.00
R / Rfree (%) 23.2 / 28.8

Other elements in 6bq8:

The structure of Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp also contains other interesting chemical elements:

Strontium (Sr) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp (pdb code 6bq8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp, PDB code: 6bq8:

Chlorine binding site 1 out of 1 in 6bq8

Go back to Chlorine Binding Sites List in 6bq8
Chlorine binding site 1 out of 1 in the Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Joint X-Ray/Neutron Structure of Pkg II Cnb-B Domain in Complex with 8-Pcpt-Cgmp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:34.3
occ:1.00
 CL1 A:6FW501 0.0 34.3 1.0
C22 A:6FW501 1.8 38.4 1.0
C23 A:6FW501 2.7 38.1 1.0
C21 A:6FW501 2.8 37.1 1.0
H231 A:6FW501 2.9 37.0 1.0
HE1 A:TYR354 2.9 33.2 1.0
H211 A:6FW501 2.9 38.1 1.0
HB3 A:TYR404 3.6 41.8 1.0
CE1 A:TYR354 3.7 33.3 1.0
O A:DOD633 3.7 41.7 0.5
CD1 A:TYR404 3.7 52.9 1.0
CG A:TYR404 3.8 48.9 1.0
OH A:TYR354 3.8 38.6 1.0
HD1 A:TYR404 3.9 54.0 1.0
D2 A:DOD633 4.0 41.0 0.5
C24 A:6FW501 4.0 37.0 1.0
C20 A:6FW501 4.1 35.8 1.0
CE1 A:TYR404 4.1 56.0 1.0
CZ A:TYR354 4.1 34.9 1.0
CD2 A:TYR404 4.2 52.3 1.0
CB A:TYR404 4.2 40.6 1.0
HG3 A:GLU357 4.4 23.5 1.0
D2 A:DOD627 4.4 58.2 1.0
CD A:GLU357 4.4 25.3 1.0
HD13 A:LEU408 4.4 29.6 1.0
OE2 A:GLU357 4.4 22.9 1.0
OE1 A:GLU357 4.4 26.6 1.0
CZ A:TYR404 4.5 56.1 1.0
HD13 A:LEU401 4.5 42.8 1.0
D1 A:DOD633 4.5 41.8 0.5
CE2 A:TYR404 4.5 54.4 1.0
HE1 A:TYR404 4.5 54.9 1.0
C19 A:6FW501 4.6 35.3 1.0
D1 A:DOD627 4.6 58.6 1.0
CD1 A:TYR354 4.6 29.7 1.0
HD2 A:TYR404 4.7 52.3 1.0
HB2 A:TYR404 4.7 42.2 1.0
DH A:TYR354 4.7 36.5 0.7
HH A:TYR354 4.7 36.5 0.3
HD1 A:TYR354 4.8 32.1 1.0
H241 A:6FW501 4.9 37.7 1.0
H201 A:6FW501 4.9 35.3 1.0
CG A:GLU357 4.9 23.7 1.0
O A:DOD627 5.0 57.8 1.0

Reference:

O.Gerlits, J.C.Campbell, M.P.Blakeley, C.Kim, A.Kovalevsky. Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the Pkg II Cyclic Nucleotide Binding Domain in Complex with An Activator. Biochemistry V. 57 1833 2018.
ISSN: ISSN 1520-4995
PubMed: 29517905
DOI: 10.1021/ACS.BIOCHEM.8B00010
Page generated: Fri Jul 26 23:00:34 2024

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