Chlorine in PDB 8vzb: Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp

Enzymatic activity of Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp

All present enzymatic activity of Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp:
4.1.1.8;

Protein crystallography data

The structure of Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp, PDB code: 8vzb was solved by P.Gade, Y.Kim, M.Endres, S.Lee, Y.Yoshikuni, R.Gonzalez, K.Michalska, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.27 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.709, 178.005, 196.111, 90, 90, 90
R / Rfree (%) 17.9 / 21.8

Other elements in 8vzb:

The structure of Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp (pdb code 8vzb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp, PDB code: 8vzb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8vzb

Go back to Chlorine Binding Sites List in 8vzb
Chlorine binding site 1 out of 2 in the Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl610

b:44.4
occ:1.00
O A:HOH837 2.8 35.8 1.0
N A:GLY436 3.1 25.4 1.0
CA A:GLY436 3.5 23.7 1.0
CA A:HIS434 3.6 24.4 1.0
C A:HIS434 3.7 25.3 1.0
N A:PRO435 3.8 22.6 1.0
CD A:PRO435 3.9 24.7 1.0
CB A:HIS434 4.0 22.2 1.0
C A:GLY436 4.1 28.4 1.0
N A:ARG437 4.2 26.0 1.0
O A:HIS434 4.2 23.6 1.0
C A:PRO435 4.2 26.5 1.0
ND1 A:HIS434 4.2 28.1 1.0
CG A:ARG437 4.4 25.9 1.0
CG A:PRO435 4.5 25.4 1.0
CA A:PRO435 4.6 24.3 1.0
CG A:HIS434 4.6 26.2 1.0
O A:VAL433 4.8 20.1 1.0
CD A:ARG437 4.8 27.1 1.0
O A:GLY436 4.9 28.4 1.0
N A:HIS434 4.9 23.6 1.0

Chlorine binding site 2 out of 2 in 8vzb

Go back to Chlorine Binding Sites List in 8vzb
Chlorine binding site 2 out of 2 in the Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of 2-Hydroxacyl-Coa Lyase/Synthase Apbhacs From Alphaproteobacteria Bacterium in the Complex with Thdp, D-Lactyl-Coa, and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl609

b:46.5
occ:1.00
O C:HOH916 2.8 36.7 1.0
N C:GLY436 3.3 28.1 1.0
CA C:HIS434 3.4 26.9 1.0
C C:HIS434 3.6 26.9 1.0
CA C:GLY436 3.8 26.3 1.0
CB C:HIS434 3.8 25.8 1.0
ND1 C:HIS434 3.8 27.6 1.0
N C:PRO435 3.8 27.0 1.0
CD C:PRO435 3.9 27.8 1.0
O C:HIS434 4.2 27.5 1.0
C C:GLY436 4.2 30.4 1.0
CG C:HIS434 4.3 26.0 1.0
N C:ARG437 4.4 30.5 1.0
C C:PRO435 4.4 26.2 1.0
CG C:ARG437 4.5 27.7 1.0
O C:VAL433 4.6 22.0 1.0
CG C:PRO435 4.6 28.6 1.0
CA C:PRO435 4.7 29.1 1.0
N C:HIS434 4.7 23.1 1.0
CD C:ARG437 4.8 26.5 1.0
O C:GLY436 5.0 30.5 1.0
CE1 C:HIS434 5.0 27.4 1.0

Reference:

Y.Kim, S.H.Lee, P.Gade, M.Nattermann, N.Maltseva, M.Endres, J.Chen, P.Wichmann, Y.Hu, D.G.Marchal, Y.Yoshikuni, T.J.Erb, R.Gonzalez, K.Michalska, A.Joachimiak. Revealing Reaction Intermediates in One-Carbon Elongation By Thiamine Diphosphate/Coa-Dependent Enzyme Family. Commun Chem V. 7 160 2024.
ISSN: ESSN 2399-3669
PubMed: 39034323
DOI: 10.1038/S42004-024-01242-Y
Page generated: Thu Oct 31 18:06:30 2024

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