5A13
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0020037 | molecular_function | heme binding |
A | 0046872 | molecular_function | metal ion binding |
A | 0050587 | molecular_function | chlorite O2-lyase activity |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0020037 | molecular_function | heme binding |
B | 0046872 | molecular_function | metal ion binding |
B | 0050587 | molecular_function | chlorite O2-lyase activity |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0020037 | molecular_function | heme binding |
C | 0046872 | molecular_function | metal ion binding |
C | 0050587 | molecular_function | chlorite O2-lyase activity |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0020037 | molecular_function | heme binding |
D | 0046872 | molecular_function | metal ion binding |
D | 0050587 | molecular_function | chlorite O2-lyase activity |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0020037 | molecular_function | heme binding |
E | 0046872 | molecular_function | metal ion binding |
E | 0050587 | molecular_function | chlorite O2-lyase activity |
F | 0016491 | molecular_function | oxidoreductase activity |
F | 0020037 | molecular_function | heme binding |
F | 0046872 | molecular_function | metal ion binding |
F | 0050587 | molecular_function | chlorite O2-lyase activity |
G | 0016491 | molecular_function | oxidoreductase activity |
G | 0020037 | molecular_function | heme binding |
G | 0046872 | molecular_function | metal ion binding |
G | 0050587 | molecular_function | chlorite O2-lyase activity |
H | 0016491 | molecular_function | oxidoreductase activity |
H | 0020037 | molecular_function | heme binding |
H | 0046872 | molecular_function | metal ion binding |
H | 0050587 | molecular_function | chlorite O2-lyase activity |
I | 0016491 | molecular_function | oxidoreductase activity |
I | 0020037 | molecular_function | heme binding |
I | 0046872 | molecular_function | metal ion binding |
I | 0050587 | molecular_function | chlorite O2-lyase activity |
J | 0016491 | molecular_function | oxidoreductase activity |
J | 0020037 | molecular_function | heme binding |
J | 0046872 | molecular_function | metal ion binding |
J | 0050587 | molecular_function | chlorite O2-lyase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE HEM A 250 |
Chain | Residue |
A | LEU116 |
A | THR174 |
A | LEU178 |
A | ARG183 |
A | PHE196 |
A | PHE200 |
A | LEU211 |
A | LEU212 |
A | LEU215 |
A | SCN251 |
A | HOH2114 |
A | ASN117 |
A | HOH2121 |
A | HOH2122 |
A | HOH2230 |
A | TYR118 |
A | ILE119 |
A | LEU131 |
A | LYS151 |
A | TRP155 |
A | HIS170 |
A | THR171 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN A 251 |
Chain | Residue |
A | ARG183 |
A | LYS184 |
A | LEU185 |
A | HEM250 |
site_id | AC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL A 252 |
Chain | Residue |
A | THR16 |
A | THR17 |
A | PRO18 |
A | THR113 |
A | LYS114 |
A | LYS184 |
A | HOH2014 |
A | HOH2113 |
A | HOH2184 |
site_id | AC4 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE HEM B 250 |
Chain | Residue |
B | LEU116 |
B | ASN117 |
B | TYR118 |
B | ILE119 |
B | LYS151 |
B | TRP155 |
B | HIS170 |
B | THR171 |
B | THR174 |
B | ARG183 |
B | PHE196 |
B | THR198 |
B | PHE200 |
B | LEU211 |
B | LEU212 |
B | LEU215 |
B | TRP227 |
B | SCN251 |
B | HOH2118 |
B | HOH2124 |
B | HOH2125 |
B | HOH2233 |
site_id | AC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN B 251 |
Chain | Residue |
B | ARG183 |
B | LYS184 |
B | LEU185 |
B | HEM250 |
site_id | AC6 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL B 252 |
Chain | Residue |
B | THR16 |
B | THR113 |
B | LYS114 |
B | LYS184 |
B | HOH2019 |
B | HOH2117 |
B | HOH2181 |
site_id | AC7 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE HEM C 250 |
Chain | Residue |
C | LEU116 |
C | ASN117 |
C | TYR118 |
C | ILE119 |
C | LYS151 |
C | TRP155 |
C | HIS170 |
C | THR171 |
C | THR174 |
C | ARG183 |
C | PHE196 |
C | THR198 |
C | PHE200 |
C | LEU212 |
C | LEU215 |
C | TRP227 |
C | SCN251 |
C | HOH2123 |
C | HOH2131 |
C | HOH2132 |
C | HOH2133 |
site_id | AC8 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SCN C 251 |
Chain | Residue |
C | LYS184 |
C | LEU185 |
C | HEM250 |
site_id | AC9 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL C 252 |
Chain | Residue |
C | HOH2124 |
C | HOH2189 |
C | HOH2237 |
C | THR16 |
C | THR17 |
C | PRO18 |
C | THR113 |
C | LYS114 |
C | LYS184 |
C | HOH2013 |
site_id | BC1 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL C 253 |
Chain | Residue |
C | MET34 |
C | ARG67 |
C | THR245 |
C | GLY248 |
C | HOH2238 |
C | HOH2239 |
E | VAL92 |
E | ARG95 |
site_id | BC2 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE HEM D 250 |
Chain | Residue |
D | LEU116 |
D | ASN117 |
D | TYR118 |
D | ILE119 |
D | LYS151 |
D | TRP155 |
D | HIS170 |
D | THR171 |
D | THR174 |
D | ARG183 |
D | PHE196 |
D | PHE200 |
D | LEU211 |
D | LEU212 |
D | LEU215 |
D | TRP227 |
D | SCN251 |
D | HOH2083 |
D | HOH2087 |
D | HOH2088 |
D | HOH2089 |
D | HOH2141 |
site_id | BC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN D 251 |
Chain | Residue |
D | ARG183 |
D | LYS184 |
D | LEU185 |
D | HEM250 |
site_id | BC4 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL D 252 |
Chain | Residue |
D | THR16 |
D | THR17 |
D | PRO18 |
D | THR113 |
D | LYS114 |
D | LYS184 |
D | HOH2080 |
D | HOH2129 |
site_id | BC5 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL D 253 |
Chain | Residue |
A | MET34 |
A | ARG67 |
A | THR245 |
A | GLY248 |
D | VAL92 |
D | ARG95 |
D | HOH2074 |
D | HOH2156 |
site_id | BC6 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE HEM E 250 |
Chain | Residue |
E | LEU116 |
E | ASN117 |
E | TYR118 |
E | ILE119 |
E | LYS151 |
E | TRP155 |
E | HIS170 |
E | THR171 |
E | THR174 |
E | ARG183 |
E | PHE196 |
E | THR198 |
E | PHE200 |
E | LEU211 |
E | LEU212 |
E | LEU215 |
E | SCN251 |
E | HOH2078 |
E | HOH2083 |
E | HOH2084 |
E | HOH2199 |
site_id | BC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN E 251 |
Chain | Residue |
E | ARG183 |
E | LYS184 |
E | LEU185 |
E | HEM250 |
site_id | BC8 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL E 252 |
Chain | Residue |
E | THR16 |
E | THR17 |
E | PRO18 |
E | THR113 |
E | LYS114 |
E | LYS184 |
E | HOH2012 |
E | HOH2077 |
E | HOH2157 |
site_id | BC9 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE HEM F 250 |
Chain | Residue |
F | LEU116 |
F | ASN117 |
F | TYR118 |
F | ILE119 |
F | LYS151 |
F | TRP155 |
F | HIS170 |
F | THR171 |
F | THR174 |
F | ARG183 |
F | PHE196 |
F | THR198 |
F | PHE200 |
F | LEU211 |
F | LEU212 |
F | LEU215 |
F | TRP227 |
F | SCN251 |
F | HOH2123 |
F | HOH2131 |
F | HOH2133 |
F | HOH2246 |
site_id | CC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN F 251 |
Chain | Residue |
F | ARG183 |
F | LYS184 |
F | LEU185 |
F | HEM250 |
site_id | CC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL F 252 |
Chain | Residue |
F | THR16 |
F | THR17 |
F | PRO18 |
F | THR113 |
F | LYS114 |
F | LYS184 |
F | HOH2124 |
F | HOH2196 |
site_id | CC3 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE HEM G 250 |
Chain | Residue |
G | LEU116 |
G | ASN117 |
G | TYR118 |
G | ILE119 |
G | ILE147 |
G | LYS151 |
G | TRP155 |
G | HIS170 |
G | THR171 |
G | THR174 |
G | ARG183 |
G | PHE196 |
G | PHE200 |
G | LEU211 |
G | LEU212 |
G | LEU215 |
G | TRP227 |
G | SCN251 |
G | HOH2112 |
G | HOH2120 |
G | HOH2121 |
G | HOH2229 |
site_id | CC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN G 251 |
Chain | Residue |
G | ARG183 |
G | LYS184 |
G | LEU185 |
G | HEM250 |
site_id | CC5 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL G 252 |
Chain | Residue |
G | THR16 |
G | THR17 |
G | PRO18 |
G | THR113 |
G | LYS114 |
G | LYS184 |
G | HOH2013 |
G | HOH2113 |
G | HOH2176 |
site_id | CC6 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE HEM H 250 |
Chain | Residue |
H | LEU116 |
H | ASN117 |
H | TYR118 |
H | ILE119 |
H | LYS151 |
H | TRP155 |
H | ILE167 |
H | HIS170 |
H | THR171 |
H | THR174 |
H | LEU178 |
H | ARG183 |
H | PHE196 |
H | PHE200 |
H | LEU211 |
H | LEU212 |
H | LEU215 |
H | TRP227 |
H | SCN251 |
H | HOH2103 |
H | HOH2108 |
H | HOH2109 |
H | HOH2200 |
site_id | CC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN H 251 |
Chain | Residue |
H | ARG183 |
H | LYS184 |
H | LEU185 |
H | HEM250 |
site_id | CC8 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL H 252 |
Chain | Residue |
H | THR16 |
H | THR17 |
H | PRO18 |
H | THR113 |
H | LYS114 |
H | LYS184 |
H | HOH2008 |
H | HOH2102 |
H | HOH2158 |
site_id | CC9 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL H 253 |
Chain | Residue |
H | MET34 |
H | ARG67 |
H | THR245 |
H | GLY248 |
H | HOH2070 |
H | HOH2201 |
H | HOH2202 |
J | VAL92 |
J | ARG95 |
site_id | DC1 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE HEM I 250 |
Chain | Residue |
I | LEU116 |
I | ASN117 |
I | TYR118 |
I | ILE119 |
I | LYS151 |
I | TRP155 |
I | ILE167 |
I | HIS170 |
I | THR171 |
I | THR174 |
I | ARG183 |
I | PHE196 |
I | THR198 |
I | PHE200 |
I | LEU211 |
I | LEU212 |
I | LEU215 |
I | TRP227 |
I | SCN251 |
I | HOH2080 |
I | HOH2087 |
I | HOH2088 |
I | HOH2089 |
site_id | DC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN I 251 |
Chain | Residue |
I | ARG183 |
I | LYS184 |
I | LEU185 |
I | HEM250 |
site_id | DC3 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE GOL I 252 |
Chain | Residue |
I | THR16 |
I | THR17 |
I | PRO18 |
I | THR113 |
I | LYS114 |
I | LYS184 |
I | HOH2081 |
I | HOH2141 |
site_id | DC4 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL I 253 |
Chain | Residue |
G | VAL92 |
G | ARG95 |
G | ALA96 |
G | HOH2099 |
I | MET34 |
I | ARG67 |
I | THR245 |
I | GLY248 |
I | HOH2059 |
I | HOH2174 |
site_id | DC5 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE HEM J 250 |
Chain | Residue |
J | LEU116 |
J | ASN117 |
J | TYR118 |
J | ILE119 |
J | LYS151 |
J | TRP155 |
J | HIS170 |
J | THR171 |
J | THR174 |
J | ARG183 |
J | PHE196 |
J | THR198 |
J | PHE200 |
J | LEU211 |
J | LEU212 |
J | LEU215 |
J | TRP227 |
J | SCN251 |
J | HOH2071 |
J | HOH2078 |
J | HOH2080 |
J | HOH2175 |
site_id | DC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SCN J 251 |
Chain | Residue |
J | ARG183 |
J | LYS184 |
J | LEU185 |
J | HEM250 |
site_id | DC7 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL J 252 |
Chain | Residue |
J | THR16 |
J | THR17 |
J | PRO18 |
J | THR113 |
J | LYS114 |
J | LYS184 |
J | HOH2008 |
J | HOH2072 |
J | HOH2138 |