Bromine in PDB 4dey: Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.

The structure of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker., PDB code: 4dey was solved by L.Almagor, J.A.Hirsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.40 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.257, 70.512, 134.339, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. (pdb code 4dey). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 17 binding sites of Bromine where determined in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker., PDB code: 4dey:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br601 b:41.8 occ:0.34 N A:GLU393 3.3 33.6 1.0 NE2 B:GLN473 3.4 36.7 1.0 O B:HOH702 3.4 30.2 1.0 OD2 B:ASP469 3.7 61.8 1.0 CG A:GLU393 3.8 52.3 1.0 O B:HOH715 3.8 54.0 1.0 N A:LEU392 3.8 29.0 1.0 CB A:GLU393 3.8 40.4 1.0 CB A:LEU392 3.9 27.2 1.0 CA A:LEU392 4.2 27.3 1.0 CA A:GLU393 4.2 35.0 1.0 C A:LEU392 4.2 32.5 1.0 CB A:GLN391 4.3 36.0 1.0 C A:GLN391 4.4 34.6 1.0 OE1 A:GLN391 4.4 58.9 1.0 CD B:GLN473 4.5 42.0 1.0 CD A:GLU393 4.5 63.5 1.0 CA A:GLN391 4.6 32.8 1.0 OE1 B:GLN473 4.6 43.6 1.0 OE1 A:GLU393 4.7 61.8 1.0 CG A:LEU392 4.9 33.2 1.0 CG B:ASP469 5.0 49.8 1.0

Bromine binding site 2 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:41.8 occ:0.58 O A:HOH629 3.2 39.0 1.0 N A:LYS359 4.0 46.0 1.0 CB A:LYS359 4.4 59.4 1.0 CA A:GLY358 4.4 41.6 1.0 C A:GLY358 4.5 42.0 1.0 CA A:LYS359 4.6 51.1 1.0 O A:LYS355 4.9 39.6 1.0

Bromine binding site 3 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:64.9 occ:0.57 N A:GLY83 3.4 64.5 1.0 CG2 A:VAL79 3.7 46.5 1.0 CA A:PRO82 4.0 63.8 1.0 C A:PRO82 4.2 66.6 1.0 CB A:VAL79 4.2 49.5 1.0 CA A:GLY83 4.3 64.8 1.0 O A:ALA74 4.5 58.2 1.0 CB A:ALA73 4.5 45.3 1.0 CB A:PRO82 4.6 69.5 1.0 CA A:HIS75 4.7 64.7 1.0 C A:ALA74 4.8 60.2 1.0 N A:HIS75 4.9 61.2 1.0

Bromine binding site 4 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:47.1 occ:0.50 O A:HOH615 3.4 36.4 1.0 N A:ILE264 3.5 32.0 1.0 CG1 A:ILE264 3.8 41.1 1.0 CB A:ILE264 4.0 37.0 1.0 CD1 A:ILE264 4.1 41.1 1.0 CA A:SER263 4.1 37.8 1.0 O A:ILE262 4.1 36.6 1.0 C A:SER263 4.2 33.5 1.0 CA A:ILE264 4.3 33.5 1.0 CG A:LYS255 4.3 40.0 1.0 O A:ILE264 4.5 36.2 1.0 CG2 A:ILE262 4.6 31.8 1.0 O A:HOH633 4.6 39.1 1.0 C A:ILE262 4.6 33.4 1.0 O A:HOH707 4.7 52.0 1.0 CB A:LYS255 4.7 31.5 1.0 N A:SER263 4.8 33.6 1.0 CD A:LYS255 4.8 53.4 1.0 CA A:LYS255 4.9 33.0 1.0 C A:ILE264 4.9 35.3 1.0

Bromine binding site 5 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br504 b:73.3 occ:1.00 O A:HOH677 3.2 54.5 1.0 N A:ILE116 3.5 48.9 1.0 CA A:GLU115 3.9 53.2 1.0 CG A:PRO412 4.0 45.4 1.0 CB A:PRO412 4.0 45.6 1.0 CB A:ILE116 4.1 68.8 1.0 CD A:ARG108 4.1 43.2 1.0 C A:GLU115 4.2 49.4 1.0 NE A:ARG108 4.2 41.3 1.0 CB A:GLU115 4.3 61.9 1.0 CG A:LYS57 4.3 74.7 1.0 CA A:ILE116 4.3 48.5 1.0 CD A:LYS57 4.4 77.3 1.0 CG A:GLU115 4.5 68.2 1.0 CG2 A:ILE116 4.6 71.2 1.0 O A:CYS114 4.6 47.1 1.0 O A:HOH644 5.0 44.5 1.0

Bromine binding site 6 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br505 b:45.7 occ:0.34 N A:LEU297 3.6 43.7 1.0 CA A:SER296 3.7 49.3 1.0 CG A:LEU297 3.9 52.5 1.0 CB A:SER296 3.9 52.3 1.0 C A:SER296 4.1 40.5 1.0 CD1 A:LEU297 4.4 55.0 1.0 CB A:LEU297 4.5 48.8 1.0 CA A:LEU297 4.6 46.6 1.0 N A:SER296 4.9 51.9 1.0 CD2 A:LEU297 5.0 50.6 1.0

Bromine binding site 7 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br506 b:70.0 occ:0.53 O A:HOH659 3.2 50.5 1.0 N A:TYR402 3.6 30.1 1.0 CA A:TYR402 3.7 31.1 1.0 CB A:TYR402 3.9 34.0 1.0 CB A:ASP401 3.9 37.6 1.0 C A:ASP401 4.0 34.4 1.0 O A:HIS398 4.2 32.7 1.0 CD2 A:HIS398 4.2 39.9 1.0 O A:ASP401 4.3 32.7 1.0 O A:HOH685 4.4 40.9 1.0 CD1 A:TYR402 4.4 39.8 1.0 NE2 A:HIS398 4.6 40.2 1.0 CA A:ASP401 4.6 34.1 1.0 CG A:TYR402 4.7 33.4 1.0

Bromine binding site 8 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br507 b:42.7 occ:0.48 O A:HOH612 3.3 36.9 1.0 NH1 A:ARG228 3.4 34.7 1.0 O A:HOH712 3.6 61.8 1.0 O A:HOH728 3.6 41.5 1.0 CD2 A:PHE93 3.6 33.4 1.0 CE1 A:TYR406 3.8 32.2 1.0 CD A:ARG228 3.8 30.8 1.0 CG A:PHE93 4.0 32.5 1.0 CB A:PHE93 4.2 28.1 1.0 CE2 A:PHE93 4.2 37.4 1.0 CG1 A:VAL110 4.3 38.3 1.0 CD1 A:TYR406 4.4 34.1 1.0 CZ A:ARG228 4.5 36.8 1.0 O A:VAL110 4.5 39.0 1.0 NE A:ARG228 4.6 32.1 1.0 O A:HOH718 4.7 62.6 1.0 CB A:VAL110 4.7 38.9 1.0 O A:HOH733 4.7 56.0 1.0 CZ A:TYR406 4.8 33.4 1.0 OH A:TYR406 4.9 34.9 1.0 CD1 A:PHE93 4.9 32.0 1.0

Bromine binding site 9 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br508 b:72.9 occ:0.60 OE1 A:GLN131 3.0 83.4 1.0 O A:HOH723 3.1 59.3 1.0 NZ A:LYS124 3.2 44.7 1.0 CD A:GLN131 3.3 77.6 1.0 CG A:MET128 3.4 42.3 1.0 NE2 A:GLN131 3.4 79.7 1.0 N A:MET128 3.6 34.4 1.0 CA A:MET128 3.6 35.5 1.0 C A:ASN127 3.8 38.3 1.0 O A:HOH663 3.9 55.7 1.0 O A:ASN127 3.9 39.2 1.0 CE A:LYS124 4.0 44.2 1.0 ND2 A:ASN127 4.0 69.6 1.0 CB A:ASN127 4.1 46.3 1.0 CB A:MET128 4.1 38.8 1.0 CD A:LYS124 4.2 42.0 1.0 CG A:GLN131 4.3 65.8 1.0 CG A:ASN127 4.5 58.1 1.0 O A:LYS124 4.5 37.3 1.0 CA A:ASN127 4.6 35.2 1.0 CB A:GLN131 4.7 53.8 1.0 SD A:MET128 4.8 68.5 1.0 O A:HOH702 4.9 61.2 1.0 C A:MET128 5.0 36.6 1.0

Bromine binding site 10 out of 17 in the Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of the Voltage Dependent Calcium Channel Beta-2 Subunit in Complex with the CAV1.2 I-II Linker. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br509 b:46.5 occ:0.42 O A:HOH639 3.2 45.4 1.0 CA A:ARG257 3.6 30.6 1.0 N A:ARG257 3.8 31.3 1.0 CB A:ARG257 3.9 27.3 1.0 CE1 A:PHE253 4.0 34.4 1.0 CD A:ARG257 4.2 34.4 1.0 C A:HIS256 4.3 34.4 1.0 CD1 A:PHE253 4.3 34.3 1.0 CB A:HIS256 4.5 42.3 1.0 O A:HIS256 4.5 35.5 1.0 O A:PHE253 4.6 32.3 1.0 CG A:ARG257 4.6 30.1 1.0 CZ A:PHE253 4.8 27.9 1.0

L.Almagor, O.Chomsky-Hecht, A.Ben-Mocha, D.Hendin-Barak, N.Dascal, J.A.Hirsch. The Role of A Voltage-Dependent CA2+ Channel Intracellular Linker: A Structure-Function Analysis. J.Neurosci. V. 32 7602 2012.
ISSN: ISSN 0270-6474
PubMed: 22649239
DOI: 10.1523/JNEUROSCI.5727-11.2012