4OTA
4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0042184 | biological_process | xylene catabolic process |
| A | 0042203 | biological_process | toluene catabolic process |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0042184 | biological_process | xylene catabolic process |
| B | 0042203 | biological_process | toluene catabolic process |
| C | 0016853 | molecular_function | isomerase activity |
| C | 0042184 | biological_process | xylene catabolic process |
| C | 0042203 | biological_process | toluene catabolic process |
| D | 0016853 | molecular_function | isomerase activity |
| D | 0042184 | biological_process | xylene catabolic process |
| D | 0042203 | biological_process | toluene catabolic process |
| E | 0016853 | molecular_function | isomerase activity |
| E | 0042184 | biological_process | xylene catabolic process |
| E | 0042203 | biological_process | toluene catabolic process |
| F | 0016853 | molecular_function | isomerase activity |
| F | 0042184 | biological_process | xylene catabolic process |
| F | 0042203 | biological_process | toluene catabolic process |
| G | 0016853 | molecular_function | isomerase activity |
| G | 0042184 | biological_process | xylene catabolic process |
| G | 0042203 | biological_process | toluene catabolic process |
| H | 0016853 | molecular_function | isomerase activity |
| H | 0042184 | biological_process | xylene catabolic process |
| H | 0042203 | biological_process | toluene catabolic process |
| I | 0016853 | molecular_function | isomerase activity |
| I | 0042184 | biological_process | xylene catabolic process |
| I | 0042203 | biological_process | toluene catabolic process |
| J | 0016853 | molecular_function | isomerase activity |
| J | 0042184 | biological_process | xylene catabolic process |
| J | 0042203 | biological_process | toluene catabolic process |
| K | 0016853 | molecular_function | isomerase activity |
| K | 0042184 | biological_process | xylene catabolic process |
| K | 0042203 | biological_process | toluene catabolic process |
| L | 0016853 | molecular_function | isomerase activity |
| L | 0042184 | biological_process | xylene catabolic process |
| L | 0042203 | biological_process | toluene catabolic process |
| M | 0016853 | molecular_function | isomerase activity |
| M | 0042184 | biological_process | xylene catabolic process |
| M | 0042203 | biological_process | toluene catabolic process |
| N | 0016853 | molecular_function | isomerase activity |
| N | 0042184 | biological_process | xylene catabolic process |
| N | 0042203 | biological_process | toluene catabolic process |
| O | 0016853 | molecular_function | isomerase activity |
| O | 0042184 | biological_process | xylene catabolic process |
| O | 0042203 | biological_process | toluene catabolic process |
| P | 0016853 | molecular_function | isomerase activity |
| P | 0042184 | biological_process | xylene catabolic process |
| P | 0042203 | biological_process | toluene catabolic process |
| Q | 0016853 | molecular_function | isomerase activity |
| Q | 0042184 | biological_process | xylene catabolic process |
| Q | 0042203 | biological_process | toluene catabolic process |
| R | 0016853 | molecular_function | isomerase activity |
| R | 0042184 | biological_process | xylene catabolic process |
| R | 0042203 | biological_process | toluene catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 101 |
| Chain | Residue |
| A | THR36 |
| A | SER37 |
| B | ILE52 |
| D | ARG39 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 102 |
| Chain | Residue |
| A | PRO1 |
| B | ILE7 |
| B | LEU8 |
| B | ARG11 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 E 103 |
| Chain | Residue |
| E | ARG39 |
| B | SER37 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 104 |
| Chain | Residue |
| A | ILE7 |
| A | LEU8 |
| A | ARG11 |
| B | PRO1 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 105 |
| Chain | Residue |
| C | PRO1 |
| C | LEU31 |
| D | ILE7 |
| D | LEU8 |
| D | ARG11 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 106 |
| Chain | Residue |
| A | ARG39 |
| D | THR36 |
| D | SER37 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 107 |
| Chain | Residue |
| C | ILE7 |
| C | LEU8 |
| C | ARG11 |
| D | PRO1 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 108 |
| Chain | Residue |
| B | ARG39 |
| E | SER37 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 109 |
| Chain | Residue |
| E | PRO1 |
| F | ILE7 |
| F | LEU8 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 110 |
| Chain | Residue |
| E | LEU8 |
| E | ARG11 |
| F | PRO1 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 J 111 |
| Chain | Residue |
| G | THR36 |
| G | SER37 |
| J | ARG39 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 H 112 |
| Chain | Residue |
| G | PRO1 |
| H | ILE7 |
| H | LEU8 |
| H | ARG11 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 G 113 |
| Chain | Residue |
| G | ILE7 |
| G | LEU8 |
| G | ARG11 |
| H | PRO1 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 I 114 |
| Chain | Residue |
| I | THR36 |
| I | ARG39 |
| L | ARG39 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 I 115 |
| Chain | Residue |
| I | PRO1 |
| J | ILE7 |
| J | LEU8 |
| J | ARG11 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 K 116 |
| Chain | Residue |
| K | PRO1 |
| L | ILE7 |
| L | LEU8 |
| L | ARG11 |
| site_id | BC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 I 117 |
| Chain | Residue |
| I | ARG39 |
| L | SER37 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 K 118 |
| Chain | Residue |
| K | ILE7 |
| K | LEU8 |
| K | ARG11 |
| L | PRO1 |
| site_id | CC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 P 119 |
| Chain | Residue |
| M | SER37 |
| N | ILE52 |
| P | ARG39 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 M 120 |
| Chain | Residue |
| M | PRO1 |
| N | ILE7 |
| N | LEU8 |
| N | ARG11 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 M 121 |
| Chain | Residue |
| M | ILE52 |
| M | ARG61 |
| N | SER37 |
| N | HOH205 |
| Q | ARG39 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 P 122 |
| Chain | Residue |
| O | SER37 |
| O | ARG39 |
| P | ILE52 |
| P | ARG61 |
| R | ARG39 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 P 123 |
| Chain | Residue |
| M | ARG39 |
| O | ILE52 |
| P | SER37 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 O 124 |
| Chain | Residue |
| O | ILE7 |
| O | LEU8 |
| O | ARG11 |
| P | PRO1 |
| site_id | CC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 R 125 |
| Chain | Residue |
| Q | PRO1 |
| R | ILE7 |
| R | LEU8 |
| R | ARG11 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 Q 126 |
| Chain | Residue |
| Q | ILE7 |
| Q | LEU8 |
| Q | ARG11 |
| R | PRO1 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | Active site: {"description":"Proton acceptor; via imino nitrogen","evidences":[{"source":"PubMed","id":"8547260","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| A | PRO1 | |
| A | PHE50 |
| site_id | CSA10 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| J | PRO1 | |
| J | PHE50 |
| site_id | CSA11 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| K | PRO1 | |
| K | PHE50 |
| site_id | CSA12 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| L | PRO1 | |
| L | PHE50 |
| site_id | CSA13 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| M | PRO1 | |
| M | PHE50 |
| site_id | CSA14 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| N | PRO1 | |
| N | PHE50 |
| site_id | CSA15 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| O | PRO1 | |
| O | PHE50 |
| site_id | CSA16 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| P | PRO1 | |
| P | PHE50 |
| site_id | CSA17 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| Q | PRO1 | |
| Q | PHE50 |
| site_id | CSA18 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| R | PRO1 | |
| R | PHE50 |
| site_id | CSA19 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| A | ARG39 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| B | PRO1 | |
| B | PHE50 |
| site_id | CSA20 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| B | ARG39 |
| site_id | CSA21 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| C | ARG39 |
| site_id | CSA22 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| D | ARG39 |
| site_id | CSA23 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| E | ARG39 |
| site_id | CSA24 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| F | ARG39 |
| site_id | CSA25 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| G | ARG39 |
| site_id | CSA26 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| H | ARG39 |
| site_id | CSA27 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| I | ARG39 |
| site_id | CSA28 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| J | ARG39 |
| site_id | CSA29 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| K | ARG39 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| C | PRO1 | |
| C | PHE50 |
| site_id | CSA30 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| L | ARG39 |
| site_id | CSA31 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| M | ARG39 |
| site_id | CSA32 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| N | ARG39 |
| site_id | CSA33 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| O | ARG39 |
| site_id | CSA34 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| P | ARG39 |
| site_id | CSA35 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| Q | ARG39 |
| site_id | CSA36 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| R | ARG39 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| D | PRO1 | |
| D | PHE50 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| E | PRO1 | |
| E | PHE50 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| F | PRO1 | |
| F | PHE50 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| G | PRO1 | |
| G | PHE50 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| H | PRO1 | |
| H | PHE50 |
| site_id | CSA9 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1bjp |
| Chain | Residue | Details |
| I | PRO1 | |
| I | PHE50 |
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| A | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| A | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| A | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA10 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| J | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| J | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| J | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA11 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| K | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| K | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| K | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA12 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| L | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| L | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| L | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA13 |
| Number of Residues | 4 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| M | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| M | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| M | PHE50 | activator, polar/non-polar interaction |
| M | ARG61 | electrostatic stabiliser |
| site_id | MCSA14 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| N | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| N | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| N | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA15 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| O | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| O | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| O | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA16 |
| Number of Residues | 4 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| P | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| P | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| P | PHE50 | activator, polar/non-polar interaction |
| P | ARG61 | electrostatic stabiliser |
| site_id | MCSA17 |
| Number of Residues | 4 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| Q | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| Q | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| Q | PHE50 | activator, polar/non-polar interaction |
| Q | ARG61 | electrostatic stabiliser |
| site_id | MCSA18 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| R | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| R | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| R | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| B | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| B | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| B | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| C | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| C | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| C | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| D | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| D | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| D | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA5 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| E | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| E | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| E | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA6 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| F | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| F | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| F | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA7 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| G | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| G | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| G | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA8 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| H | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| H | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| H | PHE50 | activator, polar/non-polar interaction |
| site_id | MCSA9 |
| Number of Residues | 3 |
| Details | M-CSA 61 |
| Chain | Residue | Details |
| I | PRO1 | hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor |
| I | ARG39 | electrostatic stabiliser, hydrogen bond donor |
| I | PHE50 | activator, polar/non-polar interaction |
