3UNC
Crystal Structure of Bovine Milk Xanthine Dehydrogenase to 1.65A Resolution
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0002197 | cellular_component | xanthine dehydrogenase complex |
A | 0004854 | molecular_function | xanthine dehydrogenase activity |
A | 0004855 | molecular_function | xanthine oxidase activity |
A | 0005506 | molecular_function | iron ion binding |
A | 0005576 | cellular_component | extracellular region |
A | 0005615 | cellular_component | extracellular space |
A | 0005737 | cellular_component | cytoplasm |
A | 0005777 | cellular_component | peroxisome |
A | 0009115 | biological_process | xanthine catabolic process |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0030151 | molecular_function | molybdenum ion binding |
A | 0042803 | molecular_function | protein homodimerization activity |
A | 0043546 | molecular_function | molybdopterin cofactor binding |
A | 0046872 | molecular_function | metal ion binding |
A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
A | 0051536 | molecular_function | iron-sulfur cluster binding |
A | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
A | 0071949 | molecular_function | FAD binding |
B | 0002197 | cellular_component | xanthine dehydrogenase complex |
B | 0004854 | molecular_function | xanthine dehydrogenase activity |
B | 0004855 | molecular_function | xanthine oxidase activity |
B | 0005506 | molecular_function | iron ion binding |
B | 0005576 | cellular_component | extracellular region |
B | 0005615 | cellular_component | extracellular space |
B | 0005737 | cellular_component | cytoplasm |
B | 0005777 | cellular_component | peroxisome |
B | 0009115 | biological_process | xanthine catabolic process |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0030151 | molecular_function | molybdenum ion binding |
B | 0042803 | molecular_function | protein homodimerization activity |
B | 0043546 | molecular_function | molybdopterin cofactor binding |
B | 0046872 | molecular_function | metal ion binding |
B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
B | 0051536 | molecular_function | iron-sulfur cluster binding |
B | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
B | 0071949 | molecular_function | FAD binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE FES A 1333 |
Chain | Residue |
A | GLN112 |
A | CYS113 |
A | GLY114 |
A | CYS116 |
A | CYS148 |
A | ARG149 |
A | CYS150 |
site_id | AC2 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE FES A 1334 |
Chain | Residue |
A | GLY44 |
A | GLY46 |
A | GLY47 |
A | CYS48 |
A | GLY49 |
A | CYS51 |
A | ASN71 |
A | CYS73 |
A | GLY42 |
A | CYS43 |
site_id | AC3 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE MTE A 1335 |
Chain | Residue |
A | GLN112 |
A | CYS150 |
A | GLY796 |
A | GLY797 |
A | PHE798 |
A | GLY799 |
A | ARG912 |
A | MET1038 |
A | GLY1039 |
A | GLN1040 |
A | ALA1078 |
A | ALA1079 |
A | SER1080 |
A | VAL1081 |
A | SER1082 |
A | GLN1194 |
A | MOS1336 |
A | HOH2096 |
A | HOH2097 |
A | HOH2102 |
site_id | AC4 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE MOS A 1336 |
Chain | Residue |
A | GLN767 |
A | GLY799 |
A | GLU802 |
A | PHE911 |
A | ARG912 |
A | ALA1078 |
A | ALA1079 |
A | GLU1261 |
A | MTE1335 |
A | HOH1856 |
site_id | AC5 |
Number of Residues | 36 |
Details | BINDING SITE FOR RESIDUE FAD A 1337 |
Chain | Residue |
A | GLU45 |
A | GLY46 |
A | LYS256 |
A | LEU257 |
A | VAL258 |
A | VAL259 |
A | GLY260 |
A | ASN261 |
A | THR262 |
A | GLU263 |
A | ILE264 |
A | ALA301 |
A | PHE337 |
A | ALA338 |
A | VAL342 |
A | ALA346 |
A | SER347 |
A | GLY350 |
A | ASN351 |
A | ILE353 |
A | THR354 |
A | SER359 |
A | ASP360 |
A | ILE403 |
A | LEU404 |
A | LYS422 |
A | ASP429 |
A | ASP430 |
A | GOL1344 |
A | HOH2032 |
A | HOH2033 |
A | HOH2034 |
A | HOH2035 |
A | HOH2041 |
A | HOH2046 |
A | HOH2083 |
site_id | AC6 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SAL A 1338 |
Chain | Residue |
A | GLU802 |
A | ARG880 |
A | PHE914 |
A | PHE1009 |
A | THR1010 |
A | VAL1011 |
A | LEU1014 |
A | HOH1856 |
site_id | AC7 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL A 1339 |
Chain | Residue |
A | HOH2275 |
A | HOH2277 |
A | GLY664 |
A | HIS665 |
A | ILE666 |
A | ARG804 |
A | ILE835 |
A | ASN869 |
A | SER906 |
A | SER907 |
site_id | AC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL A 1340 |
Chain | Residue |
A | GLN1088 |
A | TYR1091 |
A | TYR1254 |
A | HOH1796 |
site_id | AC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 1341 |
Chain | Residue |
A | ASP594 |
A | PHE604 |
A | PRO675 |
A | CYS825 |
A | MET826 |
A | HOH1354 |
A | HOH2342 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 1342 |
Chain | Residue |
A | LEU648 |
A | PHE1013 |
A | HOH1813 |
A | HOH1814 |
A | HOH2191 |
site_id | BC2 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL A 1343 |
Chain | Residue |
A | LEU580 |
A | ALA581 |
A | MET584 |
A | ARG793 |
A | TYR1062 |
A | ILE1063 |
A | GOL1349 |
A | HOH1500 |
A | HOH1501 |
A | HOH1506 |
site_id | BC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 1344 |
Chain | Residue |
A | GLU45 |
A | SER1225 |
A | FAD1337 |
A | HOH2044 |
A | HOH2084 |
A | HOH2086 |
site_id | BC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 1345 |
Chain | Residue |
A | GLU45 |
A | LYS271 |
A | SER1225 |
A | HOH1720 |
A | HOH1723 |
site_id | BC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GOL A 1346 |
Chain | Residue |
A | GLU759 |
A | MET760 |
A | ASN785 |
A | ARG786 |
A | LEU788 |
A | HOH1480 |
A | HOH1483 |
A | HOH1940 |
B | LEU1030 |
B | TYR1062 |
B | SER1064 |
site_id | BC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 1347 |
Chain | Residue |
A | ASP141 |
A | GLU309 |
A | LEU313 |
A | LYS340 |
A | LYS343 |
site_id | BC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 1348 |
Chain | Residue |
A | GLN561 |
A | GLY574 |
A | SER1184 |
A | SER1185 |
A | HOH1411 |
A | HOH1419 |
site_id | BC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL A 1349 |
Chain | Residue |
A | ILE1058 |
A | ILE1061 |
A | GOL1343 |
A | HOH1636 |
site_id | BC9 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE CO3 A 1350 |
Chain | Residue |
A | ARG839 |
A | HIS840 |
A | ILE877 |
A | THR909 |
A | ALA910 |
A | PHE911 |
A | PHE914 |
A | GLY915 |
A | GLN918 |
site_id | CC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA A 1351 |
Chain | Residue |
A | ALA867 |
A | SER870 |
A | ARG871 |
A | SER874 |
A | SER907 |
A | ASN908 |
site_id | CC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE FES B 1333 |
Chain | Residue |
B | GLN112 |
B | CYS113 |
B | GLY114 |
B | CYS116 |
B | CYS148 |
B | ARG149 |
B | CYS150 |
site_id | CC3 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE FES B 1334 |
Chain | Residue |
B | GLY42 |
B | CYS43 |
B | GLY44 |
B | GLY46 |
B | GLY47 |
B | CYS48 |
B | GLY49 |
B | CYS51 |
B | ASN71 |
B | CYS73 |
site_id | CC4 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE MTE B 1335 |
Chain | Residue |
B | GLN112 |
B | CYS150 |
B | GLY796 |
B | GLY797 |
B | PHE798 |
B | GLY799 |
B | ARG912 |
B | MET1038 |
B | GLY1039 |
B | GLN1040 |
B | ALA1078 |
B | ALA1079 |
B | SER1080 |
B | VAL1081 |
B | SER1082 |
B | GLN1194 |
B | MOS1336 |
B | HOH1602 |
B | HOH1603 |
B | HOH1605 |
site_id | CC5 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE MOS B 1336 |
Chain | Residue |
B | GLN767 |
B | GLY799 |
B | GLU802 |
B | PHE911 |
B | ARG912 |
B | ALA1078 |
B | ALA1079 |
B | GLU1261 |
B | MTE1335 |
B | HOH1963 |
site_id | CC6 |
Number of Residues | 35 |
Details | BINDING SITE FOR RESIDUE FAD B 1337 |
Chain | Residue |
B | GLU45 |
B | GLY46 |
B | LEU257 |
B | VAL258 |
B | VAL259 |
B | GLY260 |
B | ASN261 |
B | THR262 |
B | GLU263 |
B | ILE264 |
B | ALA301 |
B | PHE337 |
B | ALA338 |
B | VAL342 |
B | ALA346 |
B | SER347 |
B | GLY350 |
B | ASN351 |
B | ILE353 |
B | THR354 |
B | SER359 |
B | ASP360 |
B | ILE403 |
B | LEU404 |
B | LYS422 |
B | ASP429 |
B | ASP430 |
B | GOL1344 |
B | HOH1777 |
B | HOH1836 |
B | HOH1838 |
B | HOH1839 |
B | HOH1840 |
B | HOH1861 |
B | HOH2296 |
site_id | CC7 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SAL B 1338 |
Chain | Residue |
B | GLU802 |
B | ARG880 |
B | PHE914 |
B | PHE1009 |
B | THR1010 |
B | LEU1014 |
B | HOH1449 |
B | HOH1963 |
site_id | CC8 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GOL B 1339 |
Chain | Residue |
B | CYS662 |
B | GLY664 |
B | HIS665 |
B | ILE666 |
B | ARG804 |
B | ILE835 |
B | ASN869 |
B | SER906 |
B | SER907 |
B | HOH1697 |
B | HOH1699 |
site_id | CC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL B 1340 |
Chain | Residue |
B | GLN1088 |
B | TYR1091 |
B | ILE1253 |
B | TYR1254 |
site_id | DC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL B 1341 |
Chain | Residue |
B | ASP594 |
B | PHE604 |
B | PRO675 |
B | CYS825 |
B | MET826 |
B | HOH2075 |
B | HOH2165 |
site_id | DC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL B 1342 |
Chain | Residue |
B | PHE1013 |
B | HOH1513 |
B | HOH1516 |
B | HOH1517 |
site_id | DC3 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE GOL B 1343 |
Chain | Residue |
B | LEU580 |
B | ALA581 |
B | MET584 |
B | ARG793 |
B | TYR1062 |
B | ILE1063 |
B | HOH1622 |
B | HOH2254 |
B | HOH2257 |
B | HOH2258 |
site_id | DC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL B 1344 |
Chain | Residue |
B | GLU45 |
B | SER1225 |
B | FAD1337 |
B | HOH1400 |
B | HOH1403 |
B | HOH1778 |
site_id | DC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL B 1345 |
Chain | Residue |
B | GLU45 |
B | PHE270 |
B | LYS271 |
B | SER1225 |
B | HOH1402 |
B | HOH2141 |
site_id | DC6 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE GOL B 1346 |
Chain | Residue |
A | LEU1030 |
A | TYR1062 |
A | SER1064 |
B | GLU759 |
B | MET760 |
B | ASN785 |
B | ARG786 |
B | LEU788 |
B | HOH1487 |
B | HOH1509 |
B | HOH1634 |
site_id | DC7 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL B 1347 |
Chain | Residue |
B | GLN561 |
B | GLY574 |
B | SER1184 |
B | SER1185 |
B | PRO1188 |
B | HOH2223 |
B | HOH2229 |
site_id | DC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL B 1348 |
Chain | Residue |
B | ASP141 |
B | GLN144 |
B | GLU309 |
B | LEU313 |
B | LYS340 |
B | LYS343 |
B | HOH1876 |
site_id | DC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL B 1349 |
Chain | Residue |
B | PHE549 |
B | LYS994 |
B | GLU1163 |
B | ASP1170 |
B | HIS1171 |
B | LYS1172 |
site_id | EC1 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GOL B 1350 |
Chain | Residue |
A | LEU788 |
A | ARG790 |
A | GLU1065 |
A | SER1067 |
A | ASN1069 |
B | ARG790 |
B | GLU1065 |
B | SER1067 |
B | ASN1069 |
site_id | EC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL B 1351 |
Chain | Residue |
B | PRO937 |
B | ALA938 |
B | LEU998 |
B | ASP1276 |
B | HOH1749 |
B | HOH1754 |
site_id | EC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE CO3 B 1352 |
Chain | Residue |
B | ARG839 |
B | HIS840 |
B | ILE877 |
B | THR909 |
B | ALA910 |
B | PHE911 |
B | PHE914 |
B | GLY915 |
B | GLN918 |
site_id | EC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA B 1353 |
Chain | Residue |
B | ALA867 |
B | SER870 |
B | ARG871 |
B | SER874 |
B | SER907 |
B | ASN908 |
Functional Information from PROSITE/UniProt
site_id | PS00197 |
Number of Residues | 9 |
Details | 2FE2S_FER_1 2Fe-2S ferredoxin-type iron-sulfur binding region signature. CGEGGCGAC |
Chain | Residue | Details |
A | CYS43-CYS51 |
site_id | PS00559 |
Number of Residues | 36 |
Details | MOLYBDOPTERIN_EUK Eukaryotic molybdopterin oxidoreductases signature. GFggKetrstlvsvava..LaayKTghpVrCmlDRneD |
Chain | Residue | Details |
A | GLY797-ASP832 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:15148401 |
Chain | Residue | Details |
A | GLU1261 | |
B | GLU1261 |
site_id | SWS_FT_FI2 |
Number of Residues | 24 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12421831, ECO:0000269|PubMed:15148401, ECO:0000269|PubMed:19109252 |
Chain | Residue | Details |
A | CYS43 | |
A | PHE798 | |
A | ARG912 | |
A | ALA1079 | |
B | CYS43 | |
B | CYS48 | |
B | CYS51 | |
B | CYS73 | |
B | CYS113 | |
B | CYS116 | |
B | CYS148 | |
A | CYS48 | |
B | CYS150 | |
B | GLN767 | |
B | PHE798 | |
B | ARG912 | |
B | ALA1079 | |
A | CYS51 | |
A | CYS73 | |
A | CYS113 | |
A | CYS116 | |
A | CYS148 | |
A | CYS150 | |
A | GLN767 |
site_id | SWS_FT_FI3 |
Number of Residues | 12 |
Details | BINDING: BINDING => ECO:0000269|PubMed:12421831, ECO:0000269|PubMed:15148401 |
Chain | Residue | Details |
A | LEU257 | |
B | ASP360 | |
B | LEU404 | |
B | LYS422 | |
A | PHE337 | |
A | SER347 | |
A | ASP360 | |
A | LEU404 | |
A | LYS422 | |
B | LEU257 | |
B | PHE337 | |
B | SER347 |
site_id | SWS_FT_FI4 |
Number of Residues | 8 |
Details | BINDING: |
Chain | Residue | Details |
A | GLU802 | |
A | ARG880 | |
A | PHE914 | |
A | THR1010 | |
B | GLU802 | |
B | ARG880 | |
B | PHE914 | |
B | THR1010 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 3 |
Details | M-CSA 139 |
Chain | Residue | Details |
A | GLU802 | electrostatic stabiliser, hydrogen bond acceptor |
A | ARG880 | electrostatic stabiliser, hydrogen bond donor |
A | GLU1261 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
site_id | MCSA2 |
Number of Residues | 3 |
Details | M-CSA 139 |
Chain | Residue | Details |
B | GLU802 | electrostatic stabiliser, hydrogen bond acceptor |
B | ARG880 | electrostatic stabiliser, hydrogen bond donor |
B | GLU1261 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |