Bromine in PDB 7a0h: Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei

The structure of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei, PDB code: 7a0h was solved by A.A.Bendes, P.Kursula, I.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.20 / 2.22
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	164.49, 35.168, 115.438, 90, 104.44, 90
R / Rfree (%)	20.7 / 25.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Bromine atom in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei (pdb code 7a0h). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 25 binding sites of Bromine where determined in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei, PDB code: 7a0h:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:65.8 occ:0.35 H A:GLU234 2.4 57.8 1.0 HZ2 A:LYS235 2.7 87.8 1.0 HA A:PHE233 3.0 61.7 1.0 HD3 A:LYS235 3.0 82.7 1.0 HE2 A:LYS235 3.1 90.1 1.0 N A:GLU234 3.2 48.1 1.0 HD1 A:PHE233 3.4 62.7 1.0 NZ A:LYS235 3.5 73.2 1.0 CE A:LYS235 3.6 75.1 1.0 BR A:BR319 3.6 123.5 0.6 HB3 A:PHE233 3.6 50.8 1.0 O A:GLU234 3.7 49.9 1.0 CA A:PHE233 3.7 51.4 1.0 CD A:LYS235 3.7 68.9 1.0 HZ3 A:LYS235 3.8 87.8 1.0 C A:PHE233 4.0 50.2 1.0 C A:GLU234 4.0 57.7 1.0 HG2 A:LYS235 4.1 74.7 1.0 CB A:PHE233 4.1 42.4 1.0 HZ1 A:LYS235 4.2 87.8 1.0 CA A:GLU234 4.2 55.4 1.0 CD1 A:PHE233 4.3 52.2 1.0 HB3 A:GLU234 4.3 50.8 1.0 HD2 A:LYS235 4.5 82.7 1.0 HE3 A:LYS235 4.5 90.1 1.0 CG A:LYS235 4.5 62.2 1.0 CG A:PHE233 4.7 56.2 1.0 O A:VAL232 4.7 48.5 1.0 CB A:GLU234 4.8 42.3 1.0 N A:LYS235 4.9 50.1 1.0 HA A:GLU234 4.9 66.5 1.0 N A:PHE233 4.9 44.9 1.0 HB2 A:PHE233 5.0 50.8 1.0 HA A:LYS235 5.0 75.3 1.0

Bromine binding site 2 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:58.7 occ:0.23 O A:HOH508 2.1 65.0 1.0 HG A:SER160 2.2 56.6 1.0 OG A:SER160 2.8 47.2 1.0 O A:HOH442 3.2 50.5 1.0 HG11 A:VAL128 3.2 52.9 1.0 HG2 A:LYS125 3.3 50.5 1.0 HZ3 A:LYS125 3.5 66.5 1.0 HB A:VAL128 3.5 56.1 1.0 HG21 A:VAL128 3.6 49.0 1.0 HB3 A:SER160 3.7 49.2 1.0 HA A:LYS125 3.8 52.1 1.0 HG12 A:VAL128 3.8 52.9 1.0 CB A:SER160 3.8 41.0 1.0 CG1 A:VAL128 3.8 44.1 1.0 HZ2 A:LYS125 3.9 66.5 1.0 H A:SER160 4.0 50.8 1.0 CB A:VAL128 4.1 46.8 1.0 NZ A:LYS125 4.2 55.4 1.0 N A:SER160 4.2 42.4 1.0 HA A:ALA159 4.2 58.8 1.0 CG A:LYS125 4.3 42.1 1.0 CG2 A:VAL128 4.3 40.8 1.0 HG A:CYS158 4.4 75.8 0.6 SG A:CYS158 4.4 63.1 0.6 HD3 A:LYS125 4.6 83.0 1.0 HB2 A:SER160 4.6 49.2 1.0 O A:HOH519 4.6 52.6 1.0 C A:ALA159 4.6 38.7 1.0 CA A:SER160 4.6 47.4 1.0 CA A:LYS125 4.7 43.4 1.0 HZ1 A:LYS125 4.7 66.5 1.0 HG13 A:VAL128 4.7 52.9 1.0 HB3 A:LYS125 4.7 53.2 1.0 HG23 A:VAL128 4.8 49.0 1.0 HG3 A:LYS125 4.8 50.5 1.0 CA A:ALA159 4.8 49.0 1.0 CB A:LYS125 4.9 44.3 1.0 CD A:LYS125 4.9 69.1 1.0 HB3 A:CYS158 4.9 74.2 0.4

Bromine binding site 3 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:65.7 occ:0.34 H A:ILE243 2.3 64.6 1.0 HA A:ASP242 2.8 69.7 1.0 HG13 A:ILE243 2.9 54.1 1.0 O A:HOH492 3.0 61.0 1.0 N A:ILE243 3.1 53.8 1.0 O A:HOH516 3.2 80.6 1.0 HB A:ILE243 3.3 61.0 1.0 HD11 A:ILE243 3.5 64.9 1.0 CG1 A:ILE243 3.6 45.1 1.0 O A:ASN241 3.6 57.7 1.0 CA A:ASP242 3.7 58.1 1.0 CB A:ILE243 3.8 50.8 1.0 C A:ASP242 3.9 49.1 1.0 CD1 A:ILE243 3.9 54.1 1.0 HD12 A:ILE243 4.0 64.9 1.0 CA A:ILE243 4.0 47.7 1.0 OD2 A:ASP242 4.2 71.2 1.0 H A:GLU244 4.3 56.7 1.0 O A:HOH530 4.3 63.8 1.0 CG A:ASP242 4.4 63.1 1.0 HG12 A:ILE243 4.4 54.1 1.0 C A:ASN241 4.5 49.0 1.0 CB A:ASP242 4.6 49.2 1.0 N A:ASP242 4.6 49.2 1.0 HA A:ILE243 4.6 57.2 1.0 O A:HOH425 4.7 66.1 1.0 HB2 A:ASP242 4.8 59.1 1.0 HD13 A:ILE243 4.9 64.9 1.0 N A:GLU244 4.9 47.2 1.0

Bromine binding site 4 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br304 b:91.6 occ:0.37 HG1 A:THR101 2.6 80.6 1.0 OG1 A:THR101 2.9 67.2 1.0 HG12 A:ILE87 3.1 67.2 1.0 HD11 A:ILE87 3.2 107.7 1.0 HD13 A:ILE87 3.3 107.7 1.0 HB A:THR101 3.3 81.6 1.0 HD3 A:PRO103 3.4 99.5 1.0 HB3 A:PRO103 3.5 70.5 1.0 CD1 A:ILE87 3.6 89.7 1.0 CB A:THR101 3.7 68.0 1.0 CG1 A:ILE87 3.8 56.0 1.0 HG13 A:ILE87 4.2 67.2 1.0 CD A:PRO103 4.2 82.9 1.0 HG3 A:PRO103 4.2 96.6 1.0 CB A:PRO103 4.3 58.7 1.0 HG21 A:THR101 4.4 85.4 1.0 O A:THR101 4.4 71.7 1.0 C A:THR101 4.5 69.8 1.0 HZ A:PHE62 4.5 137.1 1.0 N A:PRO103 4.5 66.8 1.0 CG A:PRO103 4.5 80.5 1.0 HD12 A:ILE87 4.5 107.7 1.0 HA A:PRO103 4.6 79.4 1.0 CG2 A:THR101 4.6 71.1 1.0 CA A:THR101 4.7 64.7 1.0 CA A:PRO103 4.8 66.2 1.0 N A:THR102 4.9 60.6 1.0 HG21 A:ILE87 4.9 83.2 1.0

Bromine binding site 5 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br305 b:69.4 occ:0.55 HE1 A:HIS267 2.5 127.5 1.0 HD22 A:ASN266 2.8 84.8 1.0 HA A:TYR263 3.0 69.6 1.0 HD1 A:TYR263 3.1 77.8 1.0 HB2 A:ASN266 3.3 73.6 1.0 CE1 A:HIS267 3.4 106.3 1.0 HB3 A:ASN266 3.5 73.6 1.0 ND2 A:ASN266 3.7 70.7 1.0 CD1 A:TYR263 3.7 64.8 1.0 CB A:ASN266 3.8 61.4 1.0 HD22 A:LEU262 3.9 108.2 1.0 HD1 A:HIS267 3.9 98.9 1.0 CA A:TYR263 4.0 58.0 1.0 ND1 A:HIS267 4.0 82.4 1.0 HB2 A:TYR263 4.1 72.6 1.0 HD23 A:LEU262 4.2 108.2 1.0 CG A:ASN266 4.3 61.2 1.0 HD21 A:ASN266 4.3 84.8 1.0 HD21 A:LEU262 4.3 108.2 1.0 CD2 A:LEU262 4.3 90.1 1.0 CB A:TYR263 4.4 60.5 1.0 CG A:TYR263 4.4 58.9 1.0 NE2 A:HIS267 4.5 90.6 1.0 CE1 A:TYR263 4.5 70.8 1.0 HE1 A:TYR263 4.5 85.0 1.0 O A:TYR263 4.6 54.0 1.0 O A:LEU262 4.7 62.7 1.0 N A:TYR263 4.8 53.2 1.0 C A:TYR263 4.8 55.4 1.0

Bromine binding site 6 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br306 b:56.3 occ:0.40 HG A:SER161 2.5 66.8 1.0 H A:ASN84 2.7 58.8 1.0 HB2 A:ASN84 3.0 61.1 1.0 HG2 A:PRO83 3.1 60.8 1.0 O A:HOH423 3.2 48.9 1.0 O A:HOH439 3.3 58.4 1.0 OG A:SER161 3.3 55.6 1.0 O A:HOH501 3.4 61.0 1.0 HD2 A:PRO83 3.4 60.5 1.0 CE1 A:HIS82 3.5 55.1 1.0 N A:ASN84 3.5 49.0 1.0 HD22 A:ASN84 3.5 60.5 1.0 HE1 A:HIS82 3.6 66.2 1.0 HA A:SER161 3.6 51.2 1.0 ND2 A:ASN84 3.6 50.4 1.0 HB2 A:SER161 3.6 54.6 1.0 CG A:ASN84 3.7 47.7 1.0 ND1 A:HIS82 3.7 56.5 1.0 CB A:ASN84 3.7 50.9 1.0 NE2 A:HIS82 3.8 67.5 1.0 CB A:SER161 3.9 45.5 1.0 CG A:PRO83 3.9 50.7 1.0 CD A:PRO83 4.0 50.4 1.0 HD21 A:ASN84 4.0 60.5 1.0 N A:PRO83 4.1 56.1 1.0 HE2 A:HIS82 4.1 81.0 1.0 OD1 A:ASN84 4.2 46.8 1.0 CG A:HIS82 4.2 65.8 1.0 O A:HOH507 4.2 64.2 1.0 CA A:ASN84 4.2 42.9 1.0 CA A:SER161 4.2 42.7 1.0 CD2 A:HIS82 4.2 60.5 1.0 H A:VAL162 4.3 54.5 1.0 O A:SER160 4.4 46.5 1.0 HZ1 A:LYS125 4.4 66.5 1.0 HA A:HIS82 4.5 74.0 1.0 C A:PRO83 4.5 52.1 1.0 HB3 A:ASN84 4.5 61.1 1.0 HG3 A:PRO83 4.6 60.8 1.0 C A:HIS82 4.6 49.1 1.0 HH12 A:ARG117 4.6 48.6 1.0 H A:LEU85 4.6 73.8 1.0 CA A:PRO83 4.6 52.5 1.0 CB A:PRO83 4.7 45.8 1.0 HB2 A:PRO83 4.7 54.9 1.0 HB3 A:SER161 4.8 54.6 1.0 HD2 A:HIS82 4.8 72.6 1.0 HA A:ASN84 4.9 51.5 1.0 HD3 A:PRO83 4.9 60.5 1.0 N A:VAL162 4.9 45.4 1.0 CA A:HIS82 5.0 61.6 1.0 OD1 A:ASN121 5.0 45.6 1.0 O A:HOH455 5.0 60.9 1.0

Bromine binding site 7 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br307 b:87.4 occ:0.57 O A:HOH455 2.8 60.9 1.0 H A:SER160 2.9 50.8 1.0 HA A:ALA159 3.1 58.8 1.0 O A:HOH439 3.1 58.4 1.0 HB1 A:ALA159 3.1 71.3 1.0 HZ1 A:LYS125 3.3 66.5 1.0 HZ2 A:LYS125 3.4 66.5 1.0 O A:SER160 3.7 46.5 1.0 N A:SER160 3.7 42.4 1.0 CB A:ALA159 3.7 59.4 1.0 NZ A:LYS125 3.7 55.4 1.0 CA A:ALA159 3.8 49.0 1.0 HB2 A:ALA159 3.8 71.3 1.0 HD2 A:TYR67 3.9 62.6 1.0 HZ3 A:LYS125 3.9 66.5 1.0 HB2 A:TYR67 4.0 65.2 1.0 C A:ALA159 4.3 38.7 1.0 HG A:SER160 4.4 56.6 1.0 H A:TYR67 4.5 69.1 1.0 C A:SER160 4.6 43.0 1.0 O A:CYS158 4.6 60.4 0.6 HB3 A:ALA159 4.6 71.3 1.0 O A:CYS158 4.7 59.8 0.4 CA A:SER160 4.8 47.4 1.0 HE2 A:HIS82 4.8 81.0 1.0 CD2 A:TYR67 4.8 52.2 1.0 HA A:GLU66 4.9 97.7 1.0 CB A:TYR67 5.0 54.4 1.0 OG A:SER160 5.0 47.2 1.0

Bromine binding site 8 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br308 b:70.2 occ:0.41 HE2 A:HIS138 2.3 91.2 1.0 O B:HOH406 2.5 60.5 1.0 HD2 A:ARG181 2.8 70.0 1.0 HG21 A:VAL156 2.9 103.3 1.0 O B:HOH404 2.9 55.2 1.0 NE2 A:HIS138 3.1 76.0 1.0 HB3 B:PRO285 3.1 46.5 1.0 HA B:PRO285 3.1 56.0 1.0 O A:HOH496 3.3 70.7 1.0 HD2 A:HIS138 3.5 90.3 1.0 HG2 A:ARG181 3.6 70.5 1.0 CD2 A:HIS138 3.7 75.2 1.0 CD A:ARG181 3.7 58.4 1.0 CB B:PRO285 3.7 38.7 1.0 CG2 A:VAL156 3.7 86.0 1.0 HG23 A:VAL156 3.8 103.3 1.0 HD2 A:LYS133 3.8 76.3 1.0 HB3 A:CYS179 3.8 56.2 0.6 HB3 A:CYS179 3.8 56.2 0.4 CA B:PRO285 3.8 46.7 1.0 HB2 B:PRO285 3.9 46.5 1.0 HG3 A:ARG181 3.9 70.5 1.0 CG A:ARG181 4.0 58.8 1.0 HB2 A:LYS133 4.1 80.1 1.0 CE1 A:HIS138 4.2 81.3 1.0 HG22 A:VAL156 4.3 103.3 1.0 HE A:ARG181 4.3 66.7 1.0 HD3 A:ARG181 4.3 70.0 1.0 O A:HOH480 4.4 66.7 1.0 NE A:ARG181 4.5 55.5 1.0 HE1 A:HIS138 4.5 97.6 1.0 CB A:CYS179 4.5 46.8 0.6 HB A:VAL156 4.5 90.3 1.0 HB2 A:CYS179 4.5 56.2 0.6 HB2 A:CYS179 4.6 56.2 0.4 CB A:CYS179 4.6 46.8 0.4 O B:ILE283 4.7 53.0 1.0 N B:PRO285 4.7 35.6 1.0 CD A:LYS133 4.7 63.6 1.0 CB A:VAL156 4.8 75.2 1.0 SG A:CYS179 4.8 47.0 0.6 HZ3 A:LYS133 4.8 103.7 1.0 O B:PRO285 4.8 48.6 1.0 SG A:CYS158 4.9 63.6 0.4 O B:ILE284 4.9 46.7 1.0 C B:PRO285 4.9 58.0 1.0 HG11 A:VAL156 4.9 130.8 1.0 CG A:HIS138 5.0 68.6 1.0

Bromine binding site 9 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br309 b:64.4 occ:0.84 HD22 A:ASN122 2.8 51.4 1.0 O A:HOH462 3.0 67.7 1.0 HE2 A:LYS123 3.2 53.1 1.0 HA A:ALA119 3.2 52.6 1.0 O A:HOH531 3.2 58.4 1.0 HB2 A:ASN122 3.3 62.4 1.0 HG3 A:GLU244 3.5 80.9 1.0 ND2 A:ASN122 3.6 42.8 1.0 HB1 A:ALA119 3.9 46.5 1.0 HZ3 A:LYS123 3.9 60.1 1.0 CE A:LYS123 4.0 44.2 1.0 CA A:ALA119 4.0 43.8 1.0 CB A:ASN122 4.1 52.0 1.0 HD21 A:ASN122 4.1 51.4 1.0 HB2 A:ALA119 4.1 46.5 1.0 HZ1 A:LYS123 4.1 60.1 1.0 HB2 A:GLU244 4.1 58.8 1.0 HB3 A:ASN122 4.1 62.4 1.0 NZ A:LYS123 4.2 50.1 1.0 CB A:ALA119 4.2 38.7 1.0 CG A:GLU244 4.2 67.4 1.0 CG A:ASN122 4.3 59.3 1.0 CD A:GLU244 4.3 72.2 1.0 O A:ALA119 4.4 40.3 1.0 OE1 A:GLU244 4.4 86.5 1.0 HD3 A:LYS123 4.5 54.3 1.0 HA A:GLU244 4.5 55.8 1.0 HG2 A:LYS123 4.6 54.3 1.0 CB A:GLU244 4.7 49.0 1.0 HE3 A:LYS123 4.7 53.1 1.0 C A:ALA119 4.7 49.2 1.0 CD A:LYS123 4.8 45.3 1.0 OE2 A:GLU244 4.9 64.5 1.0

Bromine binding site 10 out of 25 in the Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of Homodimeric Actin Capping Protein Alpha Subunit From Plasmodium Berghei within 5.0Å range: probe atom residue distance (Å) B Occ A:Br310 b:65.1 occ:0.31 O A:HOH471 2.6 52.3 1.0 HD21 A:LEU81 3.0 58.4 1.0 HE3 A:LYS86 3.1 111.7 1.0 HB3 A:PRO83 3.3 54.9 1.0 HD3 A:ARG117 3.3 51.2 1.0 HZ2 A:LYS86 3.3 72.6 1.0 HA A:PRO83 3.6 63.0 1.0 HE A:ARG117 3.7 52.7 1.0 CE A:LYS86 3.8 93.1 1.0 HD2 A:ARG117 3.8 51.2 1.0 OE1 A:GLU114 3.8 52.5 1.0 CD A:ARG117 3.8 42.6 1.0 CD2 A:LEU81 3.9 48.6 1.0 NE A:ARG117 3.9 43.9 1.0 HD3 A:LYS86 3.9 80.1 1.0 NZ A:LYS86 3.9 60.5 1.0 O A:HOH412 3.9 69.0 1.0 HB2 A:PRO83 3.9 54.9 1.0 CB A:PRO83 3.9 45.8 1.0 HZ1 A:LYS86 4.0 72.6 1.0 HD22 A:LEU81 4.1 58.4 1.0 HD23 A:LEU81 4.2 58.4 1.0 CA A:PRO83 4.2 52.5 1.0 O A:PRO83 4.2 58.0 1.0 CD A:LYS86 4.3 66.8 1.0 H A:ALA164 4.3 66.1 1.0 HB3 A:ALA164 4.4 68.4 1.0 HD2 A:LYS86 4.5 80.1 1.0 HD11 A:LEU81 4.5 60.4 1.0 HE2 A:LYS86 4.6 111.7 1.0 C A:PRO83 4.7 52.1 1.0 HZ3 A:LYS86 4.7 72.6 1.0 CD A:GLU114 4.7 53.7 1.0 CZ A:ARG117 4.7 42.5 1.0 OE2 A:GLU114 4.9 48.5 1.0 CG A:LEU81 5.0 53.5 1.0

A.A.Bendes, P.Kursula, I.Kursula. Structure of An Atypical Homodimeric Actin Capping Protein From the Malaria Parasite To Be Published.