1NQV
Crystal Structure of Lumazine Synthase from Aquifex aeolicus in Complex with Inhibitor: 5-nitroso-6-ribityl-amino-2,4(1H,3H)pyrimidinedione
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000906 | molecular_function | 6,7-dimethyl-8-ribityllumazine synthase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0009231 | biological_process | riboflavin biosynthetic process |
| A | 0009349 | cellular_component | riboflavin synthase complex |
| A | 0016740 | molecular_function | transferase activity |
| B | 0000906 | molecular_function | 6,7-dimethyl-8-ribityllumazine synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0009231 | biological_process | riboflavin biosynthetic process |
| B | 0009349 | cellular_component | riboflavin synthase complex |
| B | 0016740 | molecular_function | transferase activity |
| C | 0000906 | molecular_function | 6,7-dimethyl-8-ribityllumazine synthase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0009231 | biological_process | riboflavin biosynthetic process |
| C | 0009349 | cellular_component | riboflavin synthase complex |
| C | 0016740 | molecular_function | transferase activity |
| D | 0000906 | molecular_function | 6,7-dimethyl-8-ribityllumazine synthase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0009231 | biological_process | riboflavin biosynthetic process |
| D | 0009349 | cellular_component | riboflavin synthase complex |
| D | 0016740 | molecular_function | transferase activity |
| E | 0000906 | molecular_function | 6,7-dimethyl-8-ribityllumazine synthase activity |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0009231 | biological_process | riboflavin biosynthetic process |
| E | 0009349 | cellular_component | riboflavin synthase complex |
| E | 0016740 | molecular_function | transferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 A 1251 |
| Chain | Residue |
| A | GLY84 |
| A | ALA85 |
| A | THR86 |
| A | HOH1307 |
| B | ARG127 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 B 2251 |
| Chain | Residue |
| C | ARG127 |
| B | GLY84 |
| B | ALA85 |
| B | THR86 |
| B | HOH2307 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 C 3251 |
| Chain | Residue |
| C | GLY84 |
| C | ALA85 |
| C | THR86 |
| C | HOH3307 |
| D | ARG127 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 D 4251 |
| Chain | Residue |
| D | GLY84 |
| D | ALA85 |
| D | THR86 |
| D | HOH4307 |
| E | ARG127 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 E 5251 |
| Chain | Residue |
| A | ARG127 |
| E | GLY84 |
| E | ALA85 |
| E | THR86 |
| E | HIS88 |
| E | HOH5307 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE LMZ A 1201 |
| Chain | Residue |
| A | PHE22 |
| A | ASN23 |
| A | GLY55 |
| A | SER56 |
| A | TRP57 |
| A | GLU58 |
| A | VAL80 |
| A | LEU81 |
| A | ILE82 |
| A | HIS88 |
| A | HOH1302 |
| A | HOH1329 |
| A | HOH1340 |
| B | THR112 |
| B | PHE113 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE LMZ B 2201 |
| Chain | Residue |
| B | PHE22 |
| B | ASN23 |
| B | GLY55 |
| B | SER56 |
| B | TRP57 |
| B | GLU58 |
| B | VAL80 |
| B | LEU81 |
| B | ILE82 |
| B | HIS88 |
| B | HOH2302 |
| B | HOH2329 |
| B | HOH2340 |
| C | THR112 |
| C | PHE113 |
| site_id | AC8 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE LMZ C 3201 |
| Chain | Residue |
| C | PHE22 |
| C | ASN23 |
| C | GLY55 |
| C | SER56 |
| C | TRP57 |
| C | GLU58 |
| C | VAL80 |
| C | LEU81 |
| C | ILE82 |
| C | HIS88 |
| C | HOH3302 |
| C | HOH3329 |
| C | HOH3340 |
| D | THR112 |
| D | PHE113 |
| site_id | AC9 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE LMZ D 4201 |
| Chain | Residue |
| D | PHE22 |
| D | ASN23 |
| D | GLY55 |
| D | SER56 |
| D | TRP57 |
| D | GLU58 |
| D | VAL80 |
| D | LEU81 |
| D | ILE82 |
| D | HIS88 |
| D | HOH4302 |
| D | HOH4329 |
| D | HOH4340 |
| E | THR112 |
| E | PHE113 |
| site_id | BC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE LMZ E 5201 |
| Chain | Residue |
| E | HOH5329 |
| E | HOH5340 |
| A | THR112 |
| A | PHE113 |
| E | PHE22 |
| E | ASN23 |
| E | GLY55 |
| E | SER56 |
| E | TRP57 |
| E | GLU58 |
| E | VAL80 |
| E | LEU81 |
| E | ILE82 |
| E | HIS88 |
| E | HOH5302 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 5 |
| Details | Active site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 35 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1rvv |
| Chain | Residue | Details |
| A | HIS88 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1rvv |
| Chain | Residue | Details |
| B | HIS88 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1rvv |
| Chain | Residue | Details |
| C | HIS88 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1rvv |
| Chain | Residue | Details |
| D | HIS88 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1rvv |
| Chain | Residue | Details |
| E | HIS88 |
