Bromine in PDB 2p3h: Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin

The structure of Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin, PDB code: 2p3h was solved by M.E.Cuff, L.Volkart, M.Gu, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.61 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	51.200, 51.214, 101.799, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.8

The binding sites of Bromine atom in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin (pdb code 2p3h). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin, PDB code: 2p3h:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Bromine binding site 1 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:48.0 occ:0.60 O A:HOH367 3.3 58.2 1.0 CD2 A:HIS49 3.7 43.8 1.0 O A:HOH309 3.8 31.9 1.0 CA A:ALA50 3.8 42.2 1.0 CB A:ALA50 3.9 42.3 1.0 O A:HOH395 3.9 53.1 1.0 CG1 A:ILE60 4.0 38.8 1.0 CG2 A:ILE60 4.1 37.4 1.0 O A:HOH427 4.2 56.5 1.0 NE2 A:HIS49 4.3 45.3 1.0 N A:ALA50 4.3 42.4 1.0 CB A:ILE60 4.5 36.5 1.0 O A:HIS49 4.6 43.1 1.0 O A:HOH354 4.6 49.2 1.0 C A:HIS49 4.7 42.4 1.0 CA A:ILE60 4.8 36.0 1.0 CG A:HIS49 4.9 43.9 1.0 C A:ALA50 5.0 42.1 1.0

Bromine binding site 2 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:32.8 occ:0.70 O A:HOH466 3.0 52.0 1.0 O A:HOH304 3.1 24.4 1.0 O A:HOH364 3.4 44.0 1.0 CB A:ALA100 4.0 33.7 1.0 CB A:ALA98 4.1 31.9 1.0 CD A:LYS14 4.5 33.0 1.0 O A:LEU99 4.7 33.0 1.0 OG1 A:THR85 4.8 35.3 1.0 CE A:LYS14 4.8 38.2 1.0 C A:LEU99 4.8 33.2 1.0 N A:ALA100 4.9 33.2 1.0 O A:HOH336 4.9 35.0 1.0 C A:ALA98 4.9 33.3 1.0 NZ A:LYS14 4.9 40.1 1.0 CA A:ALA100 5.0 33.5 1.0

Bromine binding site 3 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:52.4 occ:0.45 OE1 A:GLU69 1.3 32.8 0.5 O A:HOH472 2.2 43.9 1.0 CD A:GLU69 2.3 33.6 0.5 OE2 A:GLU69 2.9 35.9 0.5 N A:GLU69 3.4 28.5 1.0 CD A:PRO68 3.5 26.1 1.0 CG A:GLU69 3.5 30.9 0.5 O A:HOH469 3.6 73.6 1.0 CG A:GLU69 3.6 33.1 0.5 CB A:GLU69 3.7 30.6 0.5 CB A:GLU69 3.7 30.2 0.5 CB A:PRO68 3.8 26.5 1.0 N A:PRO68 3.9 27.0 1.0 CG A:PRO68 4.0 26.3 1.0 CB A:GLU67 4.2 30.6 1.0 CA A:GLU69 4.2 29.5 0.5 CA A:GLU69 4.2 29.9 0.5 CA A:PRO68 4.2 26.6 1.0 C A:PRO68 4.3 27.7 1.0 C A:GLU67 4.6 28.3 1.0 OE1 A:GLU67 4.8 43.7 1.0 CA A:GLU67 4.9 29.6 1.0

Bromine binding site 4 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:33.1 occ:0.65 O A:HOH345 3.1 40.3 1.0 N A:GLY19 3.4 33.8 1.0 O A:HOH332 3.4 42.1 1.0 N A:ASP20 3.5 32.9 1.0 OD1 A:ASP20 3.6 38.3 1.0 CG A:ASP20 3.7 35.6 1.0 CA A:GLY19 3.8 33.1 1.0 O A:VAL95 3.8 32.8 1.0 CA A:VAL95 3.9 32.9 1.0 CB A:ASP20 4.0 35.0 1.0 C A:GLY19 4.0 33.7 1.0 CB A:VAL95 4.1 33.9 1.0 OD2 A:ASP20 4.1 37.6 1.0 CG1 A:VAL95 4.1 33.4 1.0 CB A:ASP18 4.1 31.2 1.0 O A:HOH385 4.3 49.4 1.0 C A:ASP18 4.3 32.4 1.0 C A:VAL95 4.3 33.5 1.0 CA A:ASP20 4.3 33.8 1.0 O A:PRO94 4.4 32.8 1.0 CA A:ASP18 4.6 31.8 1.0 O A:HOH358 4.7 33.5 1.0 O A:HOH464 4.7 53.1 1.0 CG A:ASP18 4.8 34.9 1.0 O A:HOH420 4.9 68.3 1.0 N A:VAL95 5.0 32.5 1.0

Bromine binding site 5 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:47.1 occ:0.90 OG1 A:THR41 3.6 33.0 1.0 N A:GLU40 3.6 33.8 1.0 CA A:GLY44 3.8 33.4 1.0 N A:THR41 3.9 33.1 1.0 O A:HOH434 4.1 50.4 1.0 CA A:TYR39 4.2 35.2 1.0 O A:HOH374 4.2 40.6 1.0 CB A:TYR39 4.2 36.0 1.0 CG A:GLU40 4.3 31.8 0.5 N A:GLY44 4.3 32.5 1.0 CG2 A:THR41 4.4 34.4 1.0 CB A:THR41 4.4 33.0 1.0 C A:TYR39 4.4 34.7 1.0 CA A:GLU40 4.5 34.2 0.5 CA A:GLU40 4.6 33.6 0.5 CA A:THR41 4.6 32.2 1.0 C A:GLU40 4.7 33.5 1.0 CB A:GLU40 4.7 34.5 0.5 O A:HOH349 4.9 41.7 1.0 O A:THR41 4.9 31.2 1.0 CB A:GLU40 5.0 33.8 0.5

Bromine binding site 6 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br206 b:53.8 occ:0.50 O A:HOH441 3.1 54.3 1.0 N A:VAL89 3.1 35.1 1.0 O A:HOH403 3.1 46.6 1.0 OG1 A:THR56 3.1 42.9 1.0 O A:VAL89 3.5 34.3 1.0 O A:HOH372 3.5 62.3 1.0 CA A:GLU88 3.6 36.0 1.0 C A:GLU88 3.9 35.4 1.0 CG A:GLU88 4.0 41.9 1.0 CA A:VAL89 4.1 34.9 1.0 C A:VAL89 4.2 35.0 1.0 CB A:THR56 4.2 40.1 1.0 CB A:GLU88 4.4 36.5 1.0 CG2 A:THR56 4.4 40.6 1.0 CB A:VAL89 4.5 34.9 1.0 O A:LEU87 4.5 35.8 1.0 O A:HOH450 4.7 55.8 1.0 N A:GLU88 4.8 35.3 1.0

Bromine binding site 7 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br207 b:41.0 occ:0.55 O A:HOH441 3.1 54.3 1.0 O A:HOH379 3.1 43.0 1.0 N A:THR56 3.3 38.1 1.0 OG1 A:THR56 3.7 42.9 1.0 CA A:LYS55 3.8 38.6 1.0 CB A:VAL89 3.9 34.9 1.0 CG2 A:VAL89 4.0 34.6 1.0 CB A:LYS55 4.0 38.8 1.0 CD A:LYS55 4.1 41.7 1.0 C A:LYS55 4.1 38.1 1.0 CB A:THR56 4.2 40.1 1.0 CG1 A:VAL89 4.3 35.4 1.0 CA A:THR56 4.4 38.9 1.0 O A:HOH440 4.5 54.7 1.0 O A:HOH397 4.5 46.7 1.0 CG A:LYS55 4.7 40.5 1.0 O A:LEU54 4.7 40.1 1.0

Bromine binding site 8 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br208 b:42.6 occ:0.50 O A:HOH379 3.1 43.0 1.0 N A:ASN92 3.1 33.7 1.0 O A:HOH450 3.1 55.8 1.0 O A:HOH392 3.2 36.4 1.0 CA A:ASN92 3.6 34.1 1.0 CG1 A:VAL89 3.7 35.4 1.0 N A:ARG91 3.7 34.6 1.0 CG A:ASN92 3.9 35.8 1.0 ND2 A:ASN92 3.9 33.8 1.0 C A:ARG91 4.1 34.0 1.0 O A:HOH306 4.1 38.5 1.0 OD1 A:ASN92 4.1 37.4 1.0 CA A:ARG91 4.2 34.6 1.0 C A:GLU90 4.3 35.2 1.0 CB A:ASN92 4.4 34.7 1.0 CA A:GLU90 4.6 36.5 1.0 CB A:VAL89 4.7 34.9 1.0 N A:GLU90 4.8 35.5 1.0 C A:VAL89 4.8 35.0 1.0 O A:VAL89 4.8 34.3 1.0 O A:HOH317 4.8 31.0 1.0 C A:ASN92 4.9 34.4 1.0 O A:HOH441 4.9 54.3 1.0 O A:GLU90 5.0 35.0 1.0

Bromine binding site 9 out of 9 in the Crystal Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin


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 CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br209 b:54.2 occ:0.45 N A:LEU53 3.3 39.0 1.0 CB A:ALA52 3.6 40.1 1.0 CA A:ALA52 3.7 40.2 1.0 C A:ALA52 4.0 39.6 1.0 CB A:LEU53 4.1 38.5 1.0 CG A:LEU53 4.2 38.5 1.0 CA A:LEU53 4.3 38.9 1.0 CD1 A:LEU53 4.6 37.1 1.0 O A:HOH386 4.6 65.5 1.0

M.E.Cuff, L.Volkart, M.Gu, A.Joachimiak. Structure of the CORC_HLYC Domain of A Putative Corynebacterium Glutamicum Hemolysin. To Be Published.