Chlorine in PDB 6nyc: MUNC13-1 C2B-Domain, Calcium Free

The structure of MUNC13-1 C2B-Domain, Calcium Free, PDB code: 6nyc was solved by D.R.Tomchick, J.Rizo, M.Machius, J.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.43 / 1.89
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	42.572, 101.141, 68.038, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.8

The binding sites of Chlorine atom in the MUNC13-1 C2B-Domain, Calcium Free (pdb code 6nyc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the MUNC13-1 C2B-Domain, Calcium Free, PDB code: 6nyc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the MUNC13-1 C2B-Domain, Calcium Free


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of MUNC13-1 C2B-Domain, Calcium Free within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:32.3 occ:1.00 HH11 A:ARG754 2.4 41.8 1.0 HZ2 A:LYS722 2.7 62.5 1.0 HD2 A:ARG754 2.9 28.4 1.0 O A:HOH1003 3.0 38.7 1.0 HZ2 A:TRP756 3.0 37.4 1.0 NH1 A:ARG754 3.1 34.6 1.0 HH12 A:ARG754 3.5 41.8 1.0 NZ A:LYS722 3.5 51.9 1.0 HZ1 A:LYS722 3.6 62.5 1.0 HD3 A:ARG754 3.6 28.4 1.0 CD A:ARG754 3.6 24.7 1.0 HO4 A:B3P903 3.7 49.9 1.0 CZ2 A:TRP756 3.8 31.0 1.0 H52 A:B3P903 3.9 46.3 1.0 HH2 A:TRP756 4.0 34.1 1.0 HE3 A:LYS722 4.0 67.0 1.0 HZ3 A:LYS722 4.1 62.5 1.0 CZ A:ARG754 4.1 28.3 1.0 O4 A:B3P903 4.3 41.4 1.0 NE A:ARG754 4.3 25.6 1.0 CE A:LYS722 4.3 55.6 1.0 CH2 A:TRP756 4.3 28.3 1.0 HD3 A:LYS752 4.3 62.4 1.0 HD2 A:LYS722 4.3 60.2 1.0 C5 A:B3P903 4.6 38.4 1.0 O A:HOH1007 4.6 26.7 1.0 HG1 A:THR715 4.8 30.8 1.0 HB2 A:ARG754 4.8 29.3 1.0 H72 A:B3P903 4.8 40.3 1.0 OE1 A:GLN717 4.8 49.0 1.0 HD2 A:LYS752 4.8 62.4 1.0 CG A:ARG754 4.9 22.7 1.0 OG1 A:THR715 4.9 25.5 1.0 CD A:LYS722 4.9 50.0 1.0 CE2 A:TRP756 4.9 29.9 1.0 HG3 A:ARG754 5.0 26.0 1.0

Chlorine binding site 2 out of 2 in the MUNC13-1 C2B-Domain, Calcium Free


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of MUNC13-1 C2B-Domain, Calcium Free within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:71.6 occ:1.00 OE1 A:GLN699 3.4 81.2 1.0 CD2 A:TRP795 4.1 34.8 1.0 CE2 A:TRP795 4.3 34.9 1.0 HE22 A:GLN699 4.3 95.1 1.0 CG A:TRP795 4.3 35.4 1.0 CE3 A:TRP795 4.3 35.9 1.0 CD A:GLN699 4.4 74.3 1.0 HB3 A:TRP795 4.5 40.2 1.0 NE1 A:TRP795 4.6 35.5 1.0 HE3 A:TRP795 4.6 43.3 1.0 CD1 A:TRP795 4.6 35.1 1.0 HB3 A:ALA810 4.7 40.3 1.0 CZ2 A:TRP795 4.7 36.2 1.0 NE2 A:GLN699 4.7 79.0 1.0 CZ3 A:TRP795 4.7 38.4 1.0 CB A:TRP795 4.9 33.3 1.0 CH2 A:TRP795 4.9 31.4 1.0 HB2 A:TRP795 4.9 40.2 1.0

O.H.Shin, J.Lu, J.S.Rhee, D.R.Tomchick, Z.P.Pang, S.M.Wojcik, M.Camacho-Perez, N.Brose, M.Machius, J.Rizo, C.Rosenmund, T.C.Sudhof. MUNC13 C2B Domain Is An Activity-Dependent CA2+ Regulator of Synaptic Exocytosis. Nat. Struct. Mol. Biol. V. 17 280 2010.
ISSN: ESSN 1545-9985
PubMed: 20154707
DOI: 10.1038/NSMB.1758