Iron in PDB 7tce: Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.

All present enzymatic activity of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.:
7.1.1.8;

The structure of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone., PDB code: 7tce was solved by L.Esser, D.Xia, F.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.43 / 3.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	127.273, 156.388, 141.407, 90, 96.67, 90
R / Rfree (%)	24.1 / 27.3

The structure of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Strontium	(Sr)	6 atoms

Pages:

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

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. (pdb code 7tce). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 20 binding sites of Iron where determined in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone., PDB code: 7tce:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:149.9 occ:1.00 FE A:HEM1001 0.0 149.9 1.0 ND A:HEM1001 2.0 143.6 1.0 NB A:HEM1001 2.1 160.1 1.0 NC A:HEM1001 2.1 151.2 1.0 NE2 A:HIS97 2.1 143.0 1.0 NA A:HEM1001 2.1 159.9 1.0 NE2 A:HIS198 2.1 143.1 1.0 CE1 A:HIS198 3.0 144.2 1.0 CD2 A:HIS97 3.0 142.7 1.0 C1D A:HEM1001 3.0 142.4 1.0 C1C A:HEM1001 3.1 158.1 1.0 CE1 A:HIS97 3.1 142.9 1.0 C1B A:HEM1001 3.1 169.1 1.0 C4D A:HEM1001 3.1 146.2 1.0 C4B A:HEM1001 3.1 166.4 1.0 CD2 A:HIS198 3.1 142.9 1.0 C4A A:HEM1001 3.1 169.3 1.0 C4C A:HEM1001 3.1 151.7 1.0 C1A A:HEM1001 3.1 160.1 1.0 HE1 A:HIS198 3.2 173.2 1.0 HD2 A:HIS97 3.2 171.3 1.0 HE1 A:HIS97 3.3 171.6 1.0 HD2 A:HIS198 3.3 171.6 1.0 CHC A:HEM1001 3.4 165.2 1.0 CHD A:HEM1001 3.4 148.0 1.0 CHB A:HEM1001 3.4 171.7 1.0 CHA A:HEM1001 3.5 153.4 1.0 HA3 A:GLY146 4.0 166.2 1.0 ND1 A:HIS198 4.1 143.5 1.0 ND1 A:HIS97 4.2 142.7 1.0 CG A:HIS198 4.2 141.0 1.0 CG A:HIS97 4.2 143.1 1.0 C2D A:HEM1001 4.3 139.3 1.0 C2C A:HEM1001 4.3 156.0 1.0 C2B A:HEM1001 4.3 174.0 1.0 C3D A:HEM1001 4.3 142.9 1.0 C3B A:HEM1001 4.3 172.8 1.0 C3C A:HEM1001 4.3 156.7 1.0 C3A A:HEM1001 4.3 171.7 1.0 C2A A:HEM1001 4.3 164.9 1.0 HHC A:HEM1001 4.4 198.3 1.0 HHD A:HEM1001 4.4 177.7 1.0 HHB A:HEM1001 4.4 206.2 1.0 HHA A:HEM1001 4.4 184.1 1.0 HA2 A:GLY146 4.5 166.2 1.0 HA3 A:GLY62 4.7 163.4 1.0 HD12 A:LEU149 4.7 166.7 1.0 HE21 A:GLN58 4.7 155.3 1.0 HA2 A:GLY62 4.7 163.4 1.0 CA A:GLY146 4.7 138.4 1.0 HD12 A:LEU65 5.0 173.6 1.0

Iron binding site 2 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1002 b:163.1 occ:1.00 FE A:HEM1002 0.0 163.1 1.0 ND A:HEM1002 2.0 166.6 1.0 NA A:HEM1002 2.0 174.5 1.0 NE2 A:HIS111 2.1 156.0 1.0 NC A:HEM1002 2.1 164.3 1.0 NB A:HEM1002 2.1 167.0 1.0 NE2 A:HIS212 2.1 144.6 1.0 C4D A:HEM1002 3.0 171.7 1.0 CD2 A:HIS111 3.0 155.5 1.0 C1A A:HEM1002 3.0 179.8 1.0 C1D A:HEM1002 3.0 169.0 1.0 CE1 A:HIS111 3.1 155.9 1.0 CD2 A:HIS212 3.1 141.9 1.0 CE1 A:HIS212 3.1 141.5 1.0 C1C A:HEM1002 3.1 167.1 1.0 C4B A:HEM1002 3.1 168.7 1.0 C4C A:HEM1002 3.1 166.8 1.0 C4A A:HEM1002 3.1 178.7 1.0 C1B A:HEM1002 3.1 173.1 1.0 HD2 A:HIS111 3.2 186.7 1.0 HD2 A:HIS212 3.3 170.4 1.0 HE1 A:HIS212 3.3 169.9 1.0 HE1 A:HIS111 3.3 187.2 1.0 CHA A:HEM1002 3.4 176.4 1.0 CHD A:HEM1002 3.4 169.3 1.0 CHC A:HEM1002 3.4 169.1 1.0 CHB A:HEM1002 3.5 176.2 1.0 ND1 A:HIS111 4.2 155.2 1.0 CG A:HIS111 4.2 154.3 1.0 ND1 A:HIS212 4.2 141.7 1.0 CG A:HIS212 4.2 141.9 1.0 C3D A:HEM1002 4.2 171.5 1.0 C2D A:HEM1002 4.2 171.1 1.0 C2A A:HEM1002 4.3 185.7 1.0 C3A A:HEM1002 4.3 182.2 1.0 C2C A:HEM1002 4.3 166.4 1.0 C3C A:HEM1002 4.3 166.0 1.0 C3B A:HEM1002 4.3 170.2 1.0 C2B A:HEM1002 4.3 176.0 1.0 HHA A:HEM1002 4.3 211.8 1.0 HHD A:HEM1002 4.4 203.2 1.0 HHC A:HEM1002 4.4 203.0 1.0 HHB A:HEM1002 4.5 211.6 1.0 HD12 A:LEU51 4.5 181.2 1.0 HA2 A:GLY48 4.6 212.0 1.0 HH22 A:ARG114 4.6 182.7 1.0 HD13 A:LEU51 4.8 181.2 1.0 HG22 A:THR128 4.8 192.3 1.0 HH21 A:ARG114 4.8 182.7 1.0

Iron binding site 3 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:153.0 occ:1.00 FE B:HEC1001 0.0 153.0 1.0 NE2 B:HIS40 2.0 169.5 1.0 NA B:HEC1001 2.0 148.1 1.0 NC B:HEC1001 2.1 150.6 1.0 ND B:HEC1001 2.1 149.1 1.0 NB B:HEC1001 2.1 144.4 1.0 SD B:MET185 2.2 145.4 1.0 CD2 B:HIS40 2.9 174.8 1.0 CE1 B:HIS40 3.0 174.3 1.0 C1A B:HEC1001 3.1 149.3 1.0 HD2 B:HIS40 3.1 209.8 1.0 C4D B:HEC1001 3.1 149.8 1.0 C4C B:HEC1001 3.1 152.6 1.0 C4A B:HEC1001 3.1 144.9 1.0 C1C B:HEC1001 3.1 150.1 1.0 C1D B:HEC1001 3.1 150.4 1.0 C4B B:HEC1001 3.1 144.4 1.0 C1B B:HEC1001 3.1 142.1 1.0 HG3 B:MET185 3.2 176.7 1.0 HE1 B:HIS40 3.3 209.3 1.0 CG B:MET185 3.4 147.1 1.0 CHA B:HEC1001 3.4 149.8 1.0 CHD B:HEC1001 3.4 151.1 1.0 CHC B:HEC1001 3.4 146.2 1.0 CHB B:HEC1001 3.5 142.4 1.0 CE B:MET185 3.7 145.3 1.0 HE1 B:MET185 3.9 174.5 1.0 HB2 B:MET185 4.0 180.0 1.0 HE2 B:MET185 4.0 174.5 1.0 HG2 B:MET185 4.1 176.7 1.0 CG B:HIS40 4.1 176.4 1.0 ND1 B:HIS40 4.1 174.6 1.0 C2A B:HEC1001 4.3 147.9 1.0 C3A B:HEC1001 4.3 145.6 1.0 C3C B:HEC1001 4.3 155.8 1.0 C2C B:HEC1001 4.3 153.2 1.0 CB B:MET185 4.3 149.9 1.0 C3D B:HEC1001 4.3 151.3 1.0 C3B B:HEC1001 4.3 144.7 1.0 C2B B:HEC1001 4.3 141.2 1.0 C2D B:HEC1001 4.3 151.5 1.0 HHA B:HEC1001 4.4 179.8 1.0 HE3 B:MET185 4.4 174.5 1.0 HHD B:HEC1001 4.4 181.4 1.0 HHC B:HEC1001 4.4 175.5 1.0 HHB B:HEC1001 4.4 171.0 1.0 HG3 B:PRO188 4.6 188.2 1.0 HD21 B:LEU100 4.7 186.0 1.0 HB3 B:MET185 4.8 180.0 1.0 HD2 B:PRO98 4.9 194.4 1.0 HB1 B:ALA97 4.9 200.2 1.0 HD11 B:LEU100 5.0 184.0 1.0 HB3 B:PRO188 5.0 189.7 1.0 HB2 B:CYS39 5.0 201.2 1.0

Iron binding site 4 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1001 b:161.4 occ:1.00 FE1 C:FES1001 0.0 161.4 1.0 S2 C:FES1001 2.2 254.7 1.0 S1 C:FES1001 2.2 209.3 1.0 SG C:CYS129 2.3 149.1 1.0 SG C:CYS149 2.3 148.3 1.0 FE2 C:FES1001 2.7 136.5 1.0 HB3 C:CYS129 2.9 181.6 1.0 HB3 C:HIS131 3.0 177.7 1.0 CB C:CYS129 3.1 151.3 1.0 HB2 C:CYS129 3.3 181.6 1.0 HB2 C:CYS134 3.4 190.5 1.0 HB2 C:CYS151 3.5 197.8 1.0 CB C:CYS149 3.5 153.7 1.0 HB3 C:CYS149 3.6 184.5 1.0 HB2 C:CYS149 3.6 184.5 1.0 H C:LEU132 3.8 204.9 1.0 CB C:HIS131 3.8 148.0 1.0 H C:CYS134 3.9 186.3 1.0 HB2 C:HIS131 3.9 177.7 1.0 HB2 C:SER154 4.0 198.3 1.0 H C:HIS131 4.1 188.5 1.0 HG C:SER154 4.3 198.5 1.0 CB C:CYS134 4.3 158.7 1.0 H C:HIS152 4.3 187.2 1.0 CB C:CYS151 4.4 164.7 1.0 ND1 C:HIS131 4.4 138.6 1.0 OG C:SER154 4.5 165.3 1.0 HB2 C:HIS152 4.5 178.1 1.0 ND1 C:HIS152 4.5 140.3 1.0 CA C:CYS129 4.5 153.8 1.0 H C:CYS151 4.5 202.1 1.0 H C:GLY133 4.6 199.3 1.0 N C:LEU132 4.6 170.7 1.0 CG C:HIS131 4.6 140.8 1.0 HB3 C:CYS151 4.6 197.8 1.0 HH C:TYR156 4.6 190.9 1.0 N C:CYS134 4.7 155.2 1.0 SG C:CYS134 4.7 161.3 1.0 CB C:SER154 4.7 165.2 1.0 N C:HIS131 4.8 157.0 1.0 CA C:HIS131 4.8 156.2 1.0 CA C:CYS149 4.9 161.1 1.0 HB3 C:CYS134 4.9 190.5 1.0 C C:CYS129 4.9 158.8 1.0 HB2 C:ALA167 4.9 215.9 1.0 HA C:CYS129 4.9 184.7 1.0 N C:HIS152 4.9 156.0 1.0 HB2 C:LEU132 4.9 214.0 1.0 H C:SER154 5.0 195.9 1.0 CA C:CYS134 5.0 155.8 1.0

Iron binding site 5 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe1001 b:136.5 occ:1.00 FE2 C:FES1001 0.0 136.5 1.0 ND1 C:HIS131 2.1 138.6 1.0 ND1 C:HIS152 2.1 140.3 1.0 S2 C:FES1001 2.2 254.7 1.0 S1 C:FES1001 2.2 209.3 1.0 HB2 C:HIS152 2.6 178.1 1.0 HB3 C:HIS131 2.6 177.7 1.0 FE1 C:FES1001 2.7 161.4 1.0 CG C:HIS131 3.0 140.8 1.0 CG C:HIS152 3.0 142.6 1.0 CE1 C:HIS131 3.2 138.7 1.0 CE1 C:HIS152 3.2 141.4 1.0 CB C:HIS131 3.2 148.0 1.0 CB C:HIS152 3.2 148.4 1.0 HE1 C:HIS152 3.4 169.8 1.0 HE1 C:HIS131 3.4 166.6 1.0 HB2 C:HIS131 3.6 177.7 1.0 HB2 C:CYS151 3.6 197.8 1.0 H C:HIS152 3.7 187.2 1.0 HB3 C:CYS151 3.9 197.8 1.0 H C:LEU132 3.9 204.9 1.0 HB2 C:LEU132 3.9 214.0 1.0 HB3 C:HIS152 3.9 178.1 1.0 N C:HIS152 4.0 156.0 1.0 CD2 C:HIS131 4.1 138.9 1.0 CB C:CYS151 4.2 164.7 1.0 CD2 C:HIS152 4.2 141.3 1.0 NE2 C:HIS131 4.2 139.0 1.0 CA C:HIS152 4.2 153.8 1.0 HG C:LEU132 4.2 217.8 1.0 HG C:SER154 4.2 198.5 1.0 HD11 C:LEU132 4.2 218.6 1.0 NE2 C:HIS152 4.2 141.5 1.0 N C:LEU132 4.3 170.7 1.0 SG C:CYS149 4.4 148.3 1.0 SG C:CYS129 4.5 149.1 1.0 CA C:HIS131 4.6 156.2 1.0 C C:CYS151 4.6 160.8 1.0 HD12 C:LEU132 4.6 218.6 1.0 CB C:LEU132 4.7 178.2 1.0 HG2 C:PRO166 4.7 214.8 1.0 OG C:SER154 4.7 165.3 1.0 CG C:LEU132 4.7 181.4 1.0 CD1 C:LEU132 4.7 182.1 1.0 HB2 C:PRO166 4.7 215.8 1.0 C C:HIS131 4.8 163.5 1.0 HD2 C:PRO166 4.9 216.6 1.0 H C:HIS131 4.9 188.5 1.0 HA C:HIS152 5.0 184.7 1.0 HD2 C:HIS131 5.0 166.8 1.0 CA C:CYS151 5.0 164.6 1.0 C C:HIS152 5.0 158.1 1.0

Iron binding site 6 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1001 b:157.7 occ:1.00 FE E:HEM1001 0.0 157.7 1.0 NA E:HEM1001 2.0 170.1 1.0 NB E:HEM1001 2.0 161.3 1.0 ND E:HEM1001 2.0 157.5 1.0 NC E:HEM1001 2.0 156.3 1.0 NE2 E:HIS198 2.1 150.9 1.0 NE2 E:HIS97 2.1 154.4 1.0 CE1 E:HIS198 3.0 151.7 1.0 CE1 E:HIS97 3.0 155.0 1.0 C1D E:HEM1001 3.1 156.0 1.0 C4C E:HEM1001 3.1 157.7 1.0 C4A E:HEM1001 3.1 176.7 1.0 C1B E:HEM1001 3.1 167.2 1.0 C4B E:HEM1001 3.1 163.2 1.0 C1A E:HEM1001 3.1 176.1 1.0 C4D E:HEM1001 3.1 162.4 1.0 C1C E:HEM1001 3.1 158.8 1.0 CD2 E:HIS198 3.1 150.3 1.0 CD2 E:HIS97 3.1 154.6 1.0 HE1 E:HIS198 3.1 182.1 1.0 HE1 E:HIS97 3.2 186.1 1.0 HD2 E:HIS97 3.3 185.6 1.0 HD2 E:HIS198 3.3 180.5 1.0 CHD E:HEM1001 3.4 157.1 1.0 CHB E:HEM1001 3.4 172.9 1.0 CHC E:HEM1001 3.4 162.8 1.0 CHA E:HEM1001 3.4 170.0 1.0 HA3 E:GLY146 3.9 154.2 1.0 ND1 E:HIS198 4.1 151.0 1.0 ND1 E:HIS97 4.2 154.9 1.0 CG E:HIS198 4.2 148.5 1.0 CG E:HIS97 4.2 154.9 1.0 C2A E:HEM1001 4.3 185.5 1.0 C3A E:HEM1001 4.3 184.7 1.0 C2D E:HEM1001 4.3 154.6 1.0 C2B E:HEM1001 4.3 166.5 1.0 C3C E:HEM1001 4.3 160.4 1.0 C3B E:HEM1001 4.3 165.5 1.0 C3D E:HEM1001 4.3 158.8 1.0 C2C E:HEM1001 4.3 156.8 1.0 HHD E:HEM1001 4.4 188.6 1.0 HHB E:HEM1001 4.4 207.6 1.0 HHC E:HEM1001 4.4 195.4 1.0 HHA E:HEM1001 4.4 204.1 1.0 HA2 E:GLY146 4.5 154.2 1.0 HE21 E:GLN58 4.5 173.6 1.0 HD12 E:LEU149 4.6 170.0 1.0 CA E:GLY146 4.7 128.4 1.0 HA3 E:GLY62 4.8 153.2 1.0 HB3 E:GLN58 4.8 151.5 1.0 HA2 E:GLY62 4.9 153.2 1.0

Iron binding site 7 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1002 b:141.7 occ:1.00 FE E:HEM1002 0.0 141.7 1.0 ND E:HEM1002 2.0 147.5 1.0 NA E:HEM1002 2.0 147.3 1.0 NC E:HEM1002 2.1 138.0 1.0 NE2 E:HIS111 2.1 138.3 1.0 NB E:HEM1002 2.1 140.4 1.0 NE2 E:HIS212 2.1 134.4 1.0 CD2 E:HIS111 3.0 138.7 1.0 C4D E:HEM1002 3.0 156.3 1.0 C1A E:HEM1002 3.0 154.4 1.0 C1D E:HEM1002 3.0 150.1 1.0 CE1 E:HIS212 3.1 134.5 1.0 CD2 E:HIS212 3.1 134.6 1.0 C4C E:HEM1002 3.1 141.7 1.0 C4A E:HEM1002 3.1 150.8 1.0 C1C E:HEM1002 3.1 139.0 1.0 CE1 E:HIS111 3.1 138.7 1.0 C4B E:HEM1002 3.1 140.8 1.0 C1B E:HEM1002 3.1 145.2 1.0 HD2 E:HIS111 3.1 166.5 1.0 HE1 E:HIS212 3.2 161.5 1.0 HD2 E:HIS212 3.3 161.6 1.0 HE1 E:HIS111 3.3 166.6 1.0 CHA E:HEM1002 3.4 156.1 1.0 CHD E:HEM1002 3.4 148.0 1.0 CHC E:HEM1002 3.5 139.5 1.0 CHB E:HEM1002 3.5 148.5 1.0 ND1 E:HIS212 4.2 134.6 1.0 CG E:HIS111 4.2 137.7 1.0 ND1 E:HIS111 4.2 138.8 1.0 CG E:HIS212 4.2 135.4 1.0 C3D E:HEM1002 4.2 162.8 1.0 C2D E:HEM1002 4.2 155.6 1.0 C2A E:HEM1002 4.3 159.3 1.0 C3A E:HEM1002 4.3 155.0 1.0 C2C E:HEM1002 4.3 139.5 1.0 C3C E:HEM1002 4.3 138.4 1.0 C3B E:HEM1002 4.3 143.6 1.0 C2B E:HEM1002 4.3 145.2 1.0 HHA E:HEM1002 4.4 187.4 1.0 HHD E:HEM1002 4.4 177.7 1.0 HHC E:HEM1002 4.4 167.5 1.0 HHB E:HEM1002 4.4 178.3 1.0 HD12 E:LEU51 4.5 181.2 1.0 HH22 E:ARG114 4.7 186.8 1.0 HA2 E:GLY48 4.8 192.3 1.0 HD13 E:LEU51 4.9 181.2 1.0 HH21 E:ARG114 5.0 186.8 1.0

Iron binding site 8 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe1001 b:174.8 occ:1.00 FE F:HEC1001 0.0 174.8 1.0 NE2 F:HIS40 2.0 177.7 1.0 NC F:HEC1001 2.1 182.2 1.0 NA F:HEC1001 2.1 170.6 1.0 NB F:HEC1001 2.1 175.4 1.0 ND F:HEC1001 2.1 172.2 1.0 SD F:MET185 2.2 178.6 1.0 CD2 F:HIS40 3.0 177.9 1.0 CE1 F:HIS40 3.0 177.7 1.0 C4C F:HEC1001 3.1 182.9 1.0 C1C F:HEC1001 3.1 185.2 1.0 C4D F:HEC1001 3.1 169.7 1.0 C1D F:HEC1001 3.1 174.2 1.0 C4B F:HEC1001 3.1 179.2 1.0 C1A F:HEC1001 3.1 167.9 1.0 C4A F:HEC1001 3.1 172.1 1.0 C1B F:HEC1001 3.1 172.9 1.0 HD2 F:HIS40 3.1 213.6 1.0 HE1 F:HIS40 3.2 213.4 1.0 CE F:MET185 3.4 184.8 1.0 CHD F:HEC1001 3.4 179.4 1.0 CHC F:HEC1001 3.4 184.1 1.0 CHA F:HEC1001 3.4 168.4 1.0 CHB F:HEC1001 3.5 171.8 1.0 HE1 F:MET185 3.5 221.8 1.0 CG F:MET185 3.5 176.0 1.0 HE2 F:MET185 3.6 221.8 1.0 HG3 F:MET185 3.6 211.3 1.0 HB2 F:MET185 3.8 207.5 1.0 ND1 F:HIS40 4.1 177.7 1.0 CG F:HIS40 4.1 177.6 1.0 HE3 F:MET185 4.2 221.8 1.0 CB F:MET185 4.2 172.8 1.0 HG2 F:MET185 4.3 211.3 1.0 C3C F:HEC1001 4.3 185.0 1.0 C2C F:HEC1001 4.3 186.0 1.0 C3A F:HEC1001 4.3 176.8 1.0 C2A F:HEC1001 4.3 167.0 1.0 C3B F:HEC1001 4.3 177.3 1.0 C3D F:HEC1001 4.3 170.0 1.0 C2D F:HEC1001 4.3 171.4 1.0 C2B F:HEC1001 4.3 173.6 1.0 HHD F:HEC1001 4.4 215.4 1.0 HHC F:HEC1001 4.4 221.0 1.0 HHA F:HEC1001 4.4 202.2 1.0 HHB F:HEC1001 4.4 206.3 1.0 HD21 F:LEU100 4.5 206.2 1.0 HB3 F:MET185 4.7 207.5 1.0 HD11 F:LEU100 4.7 207.0 1.0 HG3 F:PRO188 4.8 191.1 1.0 HD2 F:PRO98 4.9 208.7 1.0

Iron binding site 9 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe1001 b:301.5 occ:1.00 FE1 G:FES1001 0.0 301.5 1.0 S1 G:FES1001 2.2 355.9 1.0 S2 G:FES1001 2.2 255.3 1.0 SG G:CYS129 2.3 149.9 1.0 SG G:CYS149 2.3 169.2 1.0 FE2 G:FES1001 2.7 209.5 1.0 HB3 G:CYS129 3.0 182.9 1.0 HB3 G:HIS131 3.0 227.2 1.0 CB G:CYS129 3.1 152.4 1.0 HB2 G:CYS129 3.3 182.9 1.0 HB2 G:CYS134 3.3 224.2 1.0 HB2 G:CYS151 3.4 240.0 1.0 CB G:CYS149 3.5 174.4 1.0 HB3 G:CYS149 3.6 209.4 1.0 HB2 G:CYS149 3.7 209.4 1.0 H G:LEU132 3.8 228.7 1.0 CB G:HIS131 3.9 189.2 1.0 H G:CYS134 3.9 215.3 1.0 HB2 G:HIS131 3.9 227.2 1.0 H G:HIS131 4.1 224.8 1.0 CB G:CYS134 4.2 186.8 1.0 HG G:SER154 4.3 233.3 1.0 H G:HIS152 4.3 241.0 1.0 HB2 G:SER154 4.3 231.6 1.0 CB G:CYS151 4.3 199.9 1.0 ND1 G:HIS131 4.4 197.9 1.0 H G:CYS151 4.5 235.8 1.0 ND1 G:HIS152 4.5 202.4 1.0 HB2 G:HIS152 4.5 241.4 1.0 CA G:CYS129 4.6 156.4 1.0 HB3 G:CYS151 4.6 240.0 1.0 N G:LEU132 4.6 190.5 1.0 OG G:SER154 4.6 194.3 1.0 CG G:HIS131 4.6 193.3 1.0 SG G:CYS134 4.7 195.3 1.0 H G:GLY133 4.7 236.6 1.0 N G:CYS134 4.7 179.3 1.0 HB2 G:ALA167 4.8 215.6 1.0 N G:HIS131 4.8 187.2 1.0 HB3 G:CYS134 4.8 224.2 1.0 CA G:HIS131 4.9 188.0 1.0 N G:HIS152 4.9 200.7 1.0 CA G:CYS149 4.9 181.5 1.0 HA G:CYS129 4.9 187.8 1.0 HB2 G:LEU132 4.9 228.3 1.0 C G:CYS129 5.0 164.2 1.0 CB G:SER154 5.0 192.9 1.0 CA G:CYS134 5.0 177.1 1.0

Iron binding site 10 out of 20 in the Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe1001 b:209.5 occ:1.00 FE2 G:FES1001 0.0 209.5 1.0 ND1 G:HIS131 2.1 197.9 1.0 ND1 G:HIS152 2.1 202.4 1.0 S2 G:FES1001 2.2 255.3 1.0 S1 G:FES1001 2.2 355.9 1.0 HB2 G:HIS152 2.6 241.4 1.0 HB3 G:HIS131 2.6 227.2 1.0 FE1 G:FES1001 2.7 301.5 1.0 CG G:HIS131 3.0 193.3 1.0 CG G:HIS152 3.0 199.8 1.0 CE1 G:HIS131 3.2 194.8 1.0 CE1 G:HIS152 3.2 200.2 1.0 CB G:HIS131 3.2 189.2 1.0 CB G:HIS152 3.2 201.1 1.0 HE1 G:HIS131 3.4 233.8 1.0 HE1 G:HIS152 3.4 240.4 1.0 HB2 G:HIS131 3.6 227.2 1.0 HB2 G:CYS151 3.6 240.0 1.0 H G:HIS152 3.7 241.0 1.0 HB3 G:CYS151 3.8 240.0 1.0 HB3 G:HIS152 3.9 241.4 1.0 H G:LEU132 3.9 228.7 1.0 N G:HIS152 3.9 200.7 1.0 HB2 G:LEU132 4.0 228.3 1.0 HD11 G:LEU132 4.2 223.2 1.0 CD2 G:HIS131 4.2 194.6 1.0 CB G:CYS151 4.2 199.9 1.0 CA G:HIS152 4.2 203.2 1.0 CD2 G:HIS152 4.2 199.9 1.0 NE2 G:HIS131 4.2 194.5 1.0 HG G:LEU132 4.2 224.5 1.0 NE2 G:HIS152 4.2 199.9 1.0 SG G:CYS129 4.4 149.9 1.0 N G:LEU132 4.4 190.5 1.0 HB2 G:PRO166 4.4 202.5 1.0 SG G:CYS149 4.4 169.2 1.0 HG2 G:PRO166 4.5 202.6 1.0 CA G:HIS131 4.6 188.0 1.0 C G:CYS151 4.6 197.9 1.0 HG G:SER154 4.6 233.3 1.0 HD12 G:LEU132 4.7 223.2 1.0 CB G:LEU132 4.7 190.2 1.0 CD1 G:LEU132 4.7 185.9 1.0 CG G:LEU132 4.8 187.0 1.0 C G:HIS131 4.8 187.9 1.0 OG G:SER154 4.9 194.3 1.0 HA G:HIS152 4.9 243.9 1.0 CA G:CYS151 5.0 197.8 1.0 H G:HIS131 5.0 224.8 1.0 HD2 G:PRO166 5.0 203.7 1.0 C G:HIS152 5.0 207.8 1.0 HD2 G:HIS131 5.0 233.6 1.0

L.Esser, D.Xia, F.Zhou. Crystal Structure of Delta Sub IV Rhodobacter Sphaeroides BC1 with the Antimalarial Drug Atovaquone. To Be Published.