Chlorine in PDB 5ue8: The Crystal Structure of MUNC13-1 C1C2BMUN Domain

The structure of The Crystal Structure of MUNC13-1 C1C2BMUN Domain, PDB code: 5ue8 was solved by D.R.Tomchick, J.Rizo, J.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.60 / 3.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	176.145, 86.351, 202.142, 90.00, 115.54, 90.00
R / Rfree (%)	25.2 / 29

The structure of The Crystal Structure of MUNC13-1 C1C2BMUN Domain also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the The Crystal Structure of MUNC13-1 C1C2BMUN Domain (pdb code 5ue8). 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 Crystal Structure of MUNC13-1 C1C2BMUN Domain, PDB code: 5ue8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of MUNC13-1 C1C2BMUN Domain


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 MUNC13-1 C1C2BMUN Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1703 b:8.2 occ:1.00 OE1 A:GLU837 3.4 29.2 1.0 OD1 A:ASN542 3.4 48.0 1.0 HA A:CYS834 4.2 33.5 1.0 HD21 A:ASN838 4.2 25.9 1.0 HA A:ASN542 4.2 69.0 1.0 CG A:ASN542 4.4 49.9 1.0 HG A:CYS834 4.4 36.0 1.0 HB2 A:ASN542 4.6 65.7 1.0 HB2 A:CYS834 4.6 34.6 1.0 CD A:GLU837 4.7 27.7 1.0 HD22 A:LEU545 4.8 22.6 1.0 CB A:ASN542 4.9 53.9 1.0 HB2 A:GLU837 4.9 29.0 1.0 ND2 A:ASN838 5.0 25.9 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of MUNC13-1 C1C2BMUN Domain


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 MUNC13-1 C1C2BMUN Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1601 b:8.2 occ:1.00 OE1 B:GLU837 3.1 46.9 1.0 HA B:CYS834 3.8 57.3 1.0 HD23 B:LEU545 3.8 46.1 1.0 HB2 B:CYS834 4.0 56.4 1.0 HA B:ASN542 4.0 86.8 1.0 HG B:CYS834 4.2 56.5 1.0 CD B:GLU837 4.3 46.5 1.0 HD21 B:LEU545 4.4 46.1 1.0 HB2 B:ASN542 4.4 85.9 1.0 CD2 B:LEU545 4.4 42.7 1.0 HD22 B:LEU545 4.5 46.1 1.0 CA B:CYS834 4.6 46.9 1.0 CB B:CYS834 4.6 47.4 1.0 CA B:ASN542 4.8 71.5 1.0 HB2 B:GLU837 4.8 50.4 1.0 CG B:ASN542 4.9 65.4 1.0 CB B:ASN542 4.9 70.7 1.0 OE2 B:GLU837 4.9 46.5 1.0 OD1 B:ASN542 4.9 63.5 1.0

J.Xu, M.Camacho, Y.Xu, V.Esser, X.Liu, T.Trimbuch, Y.Z.Pan, C.Ma, D.R.Tomchick, C.Rosenmund, J.Rizo. Mechanistic Insights Into Neurotransmitter Release and Presynaptic Plasticity From the Crystal Structure of MUNC13-1 C1C2BMUN. Elife V. 6 2017.
ISSN: ESSN 2050-084X
PubMed: 28177287
DOI: 10.7554/ELIFE.22567