Chlorine in PDB 6dan: Phdj Wt 2 Angstroms Resolution

The structure of Phdj Wt 2 Angstroms Resolution, PDB code: 6dan was solved by B.P.Medellin, J.A.Levieux, Y.J.Zhang, C.P.Whitman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.90 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.406, 136.946, 88.264, 90.00, 99.05, 90.00
R / Rfree (%)	17.6 / 22.1

The binding sites of Chlorine atom in the Phdj Wt 2 Angstroms Resolution (pdb code 6dan). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Phdj Wt 2 Angstroms Resolution, PDB code: 6dan:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Phdj Wt 2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phdj Wt 2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:39.7 occ:1.00 NH2 B:ARG215 3.6 25.8 1.0 NH2 A:ARG215 3.8 24.6 1.0 NE B:ARG215 3.9 28.6 1.0 O B:HOH408 3.9 40.7 1.0 NE A:ARG215 3.9 26.6 1.0 NE1 A:TRP248 3.9 27.3 1.0 CZ B:ARG215 4.2 25.2 1.0 NE1 B:TRP248 4.3 33.0 1.0 CZ A:ARG215 4.3 30.3 1.0 CD1 A:TRP248 4.4 26.5 1.0 CD1 B:TRP248 4.4 32.1 1.0

Chlorine binding site 2 out of 2 in the Phdj Wt 2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phdj Wt 2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:37.7 occ:1.00 NH2 C:ARG215 3.6 29.9 1.0 NH2 D:ARG215 3.8 35.1 1.0 NE C:ARG215 3.9 25.2 1.0 NH2 C:ARG246 3.9 39.3 1.0 NE D:ARG215 4.0 27.6 1.0 NE1 C:TRP248 4.1 25.1 1.0 NE1 D:TRP248 4.2 30.3 1.0 CZ C:ARG215 4.2 25.9 1.0 CZ D:ARG215 4.3 32.7 1.0 CD1 C:TRP248 4.4 23.5 1.0 CD1 D:TRP248 4.5 28.8 1.0 NH1 C:ARG246 4.7 31.8 1.0 CZ C:ARG246 4.7 39.4 1.0

J.A.Levieux, B.Medellin, W.H.Johnson Jr., K.Erwin, W.Li, I.A.Johnson, Y.J.Zhang, C.P.Whitman. Structural Characterization of the Hydratase-Aldolases, Nahe and Phdj: Implications For the Specificity, Catalysis, and N-Acetylneuraminate Lyase Subgroup of the Aldolase Superfamily. Biochemistry V. 57 3524 2018.
ISSN: ISSN 1520-4995
PubMed: 29856600
DOI: 10.1021/ACS.BIOCHEM.8B00532