1SQL
Crystal structure of 7,8-dihydroneopterin aldolase in complex with guanine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| A | 0006760 | biological_process | folic acid-containing compound metabolic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046656 | biological_process | folic acid biosynthetic process |
| B | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| B | 0006760 | biological_process | folic acid-containing compound metabolic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0046656 | biological_process | folic acid biosynthetic process |
| C | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| C | 0006760 | biological_process | folic acid-containing compound metabolic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| C | 0046656 | biological_process | folic acid biosynthetic process |
| D | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| D | 0006760 | biological_process | folic acid-containing compound metabolic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| D | 0046656 | biological_process | folic acid biosynthetic process |
| E | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| E | 0006760 | biological_process | folic acid-containing compound metabolic process |
| E | 0016829 | molecular_function | lyase activity |
| E | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| E | 0046656 | biological_process | folic acid biosynthetic process |
| F | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| F | 0006760 | biological_process | folic acid-containing compound metabolic process |
| F | 0016829 | molecular_function | lyase activity |
| F | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| F | 0046656 | biological_process | folic acid biosynthetic process |
| G | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| G | 0006760 | biological_process | folic acid-containing compound metabolic process |
| G | 0016829 | molecular_function | lyase activity |
| G | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| G | 0046656 | biological_process | folic acid biosynthetic process |
| H | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| H | 0006760 | biological_process | folic acid-containing compound metabolic process |
| H | 0016829 | molecular_function | lyase activity |
| H | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| H | 0046656 | biological_process | folic acid biosynthetic process |
| I | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| I | 0006760 | biological_process | folic acid-containing compound metabolic process |
| I | 0016829 | molecular_function | lyase activity |
| I | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| I | 0046656 | biological_process | folic acid biosynthetic process |
| J | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| J | 0006760 | biological_process | folic acid-containing compound metabolic process |
| J | 0016829 | molecular_function | lyase activity |
| J | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| J | 0046656 | biological_process | folic acid biosynthetic process |
| K | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| K | 0006760 | biological_process | folic acid-containing compound metabolic process |
| K | 0016829 | molecular_function | lyase activity |
| K | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| K | 0046656 | biological_process | folic acid biosynthetic process |
| L | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| L | 0006760 | biological_process | folic acid-containing compound metabolic process |
| L | 0016829 | molecular_function | lyase activity |
| L | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| L | 0046656 | biological_process | folic acid biosynthetic process |
| M | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| M | 0006760 | biological_process | folic acid-containing compound metabolic process |
| M | 0016829 | molecular_function | lyase activity |
| M | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| M | 0046656 | biological_process | folic acid biosynthetic process |
| N | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| N | 0006760 | biological_process | folic acid-containing compound metabolic process |
| N | 0016829 | molecular_function | lyase activity |
| N | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| N | 0046656 | biological_process | folic acid biosynthetic process |
| O | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| O | 0006760 | biological_process | folic acid-containing compound metabolic process |
| O | 0016829 | molecular_function | lyase activity |
| O | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| O | 0046656 | biological_process | folic acid biosynthetic process |
| P | 0004150 | molecular_function | dihydroneopterin aldolase activity |
| P | 0006760 | biological_process | folic acid-containing compound metabolic process |
| P | 0016829 | molecular_function | lyase activity |
| P | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| P | 0046656 | biological_process | folic acid biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GUN A 1001 |
| Chain | Residue |
| A | ILE51 |
| A | SER52 |
| A | TYR53 |
| A | HOH1010 |
| D | LEU71 |
| D | LEU72 |
| D | GLU73 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GUN B 1002 |
| Chain | Residue |
| A | GLU73 |
| B | LEU4 |
| B | THR50 |
| B | ILE51 |
| B | SER52 |
| B | TYR53 |
| B | HOH1010 |
| A | LEU71 |
| A | LEU72 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GUN B 1003 |
| Chain | Residue |
| B | LEU71 |
| B | LEU72 |
| B | GLU73 |
| B | HOH1066 |
| C | ILE51 |
| C | SER52 |
| C | TYR53 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GUN D 1004 |
| Chain | Residue |
| C | LEU71 |
| C | LEU72 |
| C | GLU73 |
| C | HOH128 |
| D | ILE51 |
| D | SER52 |
| D | TYR53 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GUN H 1005 |
| Chain | Residue |
| E | LEU4 |
| E | THR50 |
| E | ILE51 |
| E | SER52 |
| E | TYR53 |
| H | LEU71 |
| H | LEU72 |
| H | GLU73 |
| H | HOH1029 |
| H | HOH1070 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GUN F 1006 |
| Chain | Residue |
| E | LEU71 |
| E | LEU72 |
| E | GLU73 |
| F | LEU47 |
| F | THR50 |
| F | ILE51 |
| F | SER52 |
| F | TYR53 |
| F | HOH1022 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GUN G 1007 |
| Chain | Residue |
| F | LEU71 |
| F | LEU72 |
| F | GLU73 |
| G | LEU4 |
| G | THR50 |
| G | ILE51 |
| G | SER52 |
| G | TYR53 |
| G | HOH1035 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE GUN G 1008 |
| Chain | Residue |
| G | LEU71 |
| G | LEU72 |
| G | GLU73 |
| G | HOH1021 |
| G | HOH1073 |
| H | LEU4 |
| H | LEU47 |
| H | THR50 |
| H | ILE51 |
| H | SER52 |
| H | TYR53 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GUN I 1009 |
| Chain | Residue |
| I | LEU4 |
| I | LEU47 |
| I | THR50 |
| I | ILE51 |
| I | SER52 |
| I | TYR53 |
| L | LEU71 |
| L | LEU72 |
| L | GLU73 |
| L | HOH1019 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GUN J 1010 |
| Chain | Residue |
| I | LEU71 |
| I | LEU72 |
| I | GLU73 |
| I | HOH1066 |
| J | ILE51 |
| J | SER52 |
| J | TYR53 |
| J | HOH1057 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GUN J 1011 |
| Chain | Residue |
| J | LEU71 |
| J | LEU72 |
| J | GLU73 |
| J | HOH1013 |
| J | HOH1079 |
| K | ILE51 |
| K | SER52 |
| K | TYR53 |
| K | HOH131 |
| site_id | BC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GUN L 1012 |
| Chain | Residue |
| K | HOH132 |
| K | HOH180 |
| L | LEU4 |
| L | THR50 |
| L | ILE51 |
| L | SER52 |
| L | TYR53 |
| K | LEU71 |
| K | LEU72 |
| K | GLU73 |
| site_id | BC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GUN P 1013 |
| Chain | Residue |
| M | LEU4 |
| M | THR50 |
| M | ILE51 |
| M | SER52 |
| M | TYR53 |
| P | LEU71 |
| P | LEU72 |
| P | GLU73 |
| P | HOH1030 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GUN M 1014 |
| Chain | Residue |
| M | LEU71 |
| M | LEU72 |
| M | GLU73 |
| M | HOH1019 |
| N | ILE51 |
| N | SER52 |
| N | TYR53 |
| site_id | BC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GUN O 1015 |
| Chain | Residue |
| N | LEU71 |
| N | LEU72 |
| N | GLU73 |
| O | LEU4 |
| O | THR50 |
| O | ILE51 |
| O | SER52 |
| O | TYR53 |
| O | HOH1023 |
| site_id | BC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GUN P 1016 |
| Chain | Residue |
| O | LEU71 |
| O | LEU72 |
| O | GLU73 |
| P | THR50 |
| P | ILE51 |
| P | SER52 |
| P | TYR53 |
| P | HOH1026 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:15165863 |
| Chain | Residue | Details |
| A | LYS99 | |
| J | LYS99 | |
| K | LYS99 | |
| L | LYS99 | |
| M | LYS99 | |
| N | LYS99 | |
| O | LYS99 | |
| P | LYS99 | |
| B | LYS99 | |
| C | LYS99 | |
| D | LYS99 | |
| E | LYS99 | |
| F | LYS99 | |
| G | LYS99 | |
| H | LYS99 | |
| I | LYS99 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 48 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P0AC16, ECO:0000305|PubMed:15165863 |
| Chain | Residue | Details |
| A | GLU21 | |
| D | GLU21 | |
| D | TYR53 | |
| D | LEU72 | |
| E | GLU21 | |
| E | TYR53 | |
| E | LEU72 | |
| F | GLU21 | |
| F | TYR53 | |
| F | LEU72 | |
| G | GLU21 | |
| A | TYR53 | |
| G | TYR53 | |
| G | LEU72 | |
| H | GLU21 | |
| H | TYR53 | |
| H | LEU72 | |
| I | GLU21 | |
| I | TYR53 | |
| I | LEU72 | |
| J | GLU21 | |
| J | TYR53 | |
| A | LEU72 | |
| J | LEU72 | |
| K | GLU21 | |
| K | TYR53 | |
| K | LEU72 | |
| L | GLU21 | |
| L | TYR53 | |
| L | LEU72 | |
| M | GLU21 | |
| M | TYR53 | |
| M | LEU72 | |
| B | GLU21 | |
| N | GLU21 | |
| N | TYR53 | |
| N | LEU72 | |
| O | GLU21 | |
| O | TYR53 | |
| O | LEU72 | |
| P | GLU21 | |
| P | TYR53 | |
| P | LEU72 | |
| B | TYR53 | |
| B | LEU72 | |
| C | GLU21 | |
| C | TYR53 | |
| C | LEU72 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| A | GLU21 | |
| A | LYS99 |
| site_id | CSA10 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| J | GLU21 | |
| J | LYS99 |
| site_id | CSA11 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| K | GLU21 | |
| K | LYS99 |
| site_id | CSA12 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| L | GLU21 | |
| L | LYS99 |
| site_id | CSA13 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| M | GLU21 | |
| M | LYS99 |
| site_id | CSA14 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| N | GLU21 | |
| N | LYS99 |
| site_id | CSA15 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| O | GLU21 | |
| O | LYS99 |
| site_id | CSA16 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| P | GLU21 | |
| P | LYS99 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| B | GLU21 | |
| B | LYS99 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| C | GLU21 | |
| C | LYS99 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| D | GLU21 | |
| D | LYS99 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| E | GLU21 | |
| E | LYS99 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| F | GLU21 | |
| F | LYS99 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| G | GLU21 | |
| G | LYS99 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| H | GLU21 | |
| H | LYS99 |
| site_id | CSA9 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2dhn |
| Chain | Residue | Details |
| I | GLU21 | |
| I | LYS99 |
