Chlorine in PDB 7dl3: The Structure of 3,5-Dahdhcca Complex with Nadph

All present enzymatic activity of The Structure of 3,5-Dahdhcca Complex with Nadph:
1.4.1.11;

The structure of The Structure of 3,5-Dahdhcca Complex with Nadph, PDB code: 7dl3 was solved by N.Liu, L.Wu, D.M.Zhu, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.72 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.594, 122.037, 114.645, 90, 94.85, 90
R / Rfree (%)	20.1 / 22.9

The binding sites of Chlorine atom in the The Structure of 3,5-Dahdhcca Complex with Nadph (pdb code 7dl3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of 3,5-Dahdhcca Complex with Nadph, PDB code: 7dl3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Structure of 3,5-Dahdhcca Complex with Nadph


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of 3,5-Dahdhcca Complex with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:26.2 occ:1.00 O C:HOH680 3.0 14.1 1.0 O C:HOH722 3.0 28.2 1.0 O A:HOH710 3.1 16.7 1.0 N C:PHE302 3.2 13.0 1.0 N A:PHE302 3.2 11.4 1.0 CB A:PHE302 3.7 11.0 1.0 CB C:PHE302 3.7 9.9 1.0 CA C:SER301 3.9 11.8 1.0 CA A:SER301 3.9 10.3 1.0 O C:THR300 4.0 14.9 1.0 O A:THR300 4.0 17.7 1.0 C C:SER301 4.0 13.6 1.0 C A:SER301 4.1 8.2 1.0 CA C:PHE302 4.1 13.4 1.0 CA A:PHE302 4.1 11.3 1.0 O C:HOH535 4.5 24.5 1.0 OG A:SER301 4.6 13.2 1.0 OG C:SER301 4.7 11.4 1.0 O A:HOH525 4.7 16.6 1.0 O C:HOH532 4.7 34.7 1.0 CB A:SER301 4.7 13.5 1.0 CB C:SER301 4.8 13.3 1.0 C C:THR300 4.9 12.6 1.0 N C:SER301 4.9 11.0 1.0 C A:THR300 4.9 12.6 1.0 N A:SER301 4.9 11.2 1.0 N A:THR303 5.0 12.5 1.0

Chlorine binding site 2 out of 2 in the The Structure of 3,5-Dahdhcca Complex with Nadph


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of 3,5-Dahdhcca Complex with Nadph within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:39.7 occ:1.00 N C:MET31 3.2 25.6 1.0 CB C:MET31 3.6 22.5 1.0 O C:HOH583 3.6 22.9 1.0 CA C:MET31 3.8 23.1 1.0 CG C:MET31 4.0 24.2 1.0 CG C:LYS132 4.1 24.8 1.0 N C:SER32 4.1 25.3 1.0 O C:ASN29 4.1 23.3 1.0 C C:MET31 4.2 25.1 1.0 C C:ASP30 4.3 28.4 1.0 CE C:LYS132 4.3 33.8 1.0 CA C:ASP30 4.3 29.5 1.0 OD2 C:ASP30 4.5 30.8 1.0 CB C:LYS132 4.6 21.9 1.0 CD C:LYS132 4.7 28.6 1.0

N.Liu, L.Wu, J.Feng, X.Sheng, J.Li, X.Chen, J.Li, W.Liu, J.Zhou, Q.Wu, D.Zhu. Crystal Structures and Catalytic Mechanism of L-Erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering For Asymmetric Synthesis of Beta-Amino Acids. Angew.Chem.Int.Ed.Engl. V. 60 10203 2021.
ISSN: ESSN 1521-3773
PubMed: 33624917
DOI: 10.1002/ANIE.202017225