4KVD
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| A | 0010333 | molecular_function | terpene synthase activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| A | 0045483 | molecular_function | aristolochene synthase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| B | 0010333 | molecular_function | terpene synthase activity |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| B | 0045483 | molecular_function | aristolochene synthase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0008299 | biological_process | isoprenoid biosynthetic process |
| C | 0010333 | molecular_function | terpene synthase activity |
| C | 0016829 | molecular_function | lyase activity |
| C | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| C | 0045483 | molecular_function | aristolochene synthase activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0008299 | biological_process | isoprenoid biosynthetic process |
| D | 0010333 | molecular_function | terpene synthase activity |
| D | 0016829 | molecular_function | lyase activity |
| D | 0016838 | molecular_function | carbon-oxygen lyase activity, acting on phosphates |
| D | 0045483 | molecular_function | aristolochene synthase activity |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE POP A 401 |
| Chain | Residue |
| A | ASP84 |
| A | MG403 |
| A | MG404 |
| A | 1SS408 |
| A | HOH668 |
| A | HOH685 |
| A | HOH686 |
| A | HOH687 |
| A | HOH688 |
| A | HOH689 |
| A | HOH691 |
| A | ARG169 |
| A | ASN213 |
| A | SER217 |
| A | LYS220 |
| A | GLU221 |
| A | ARG308 |
| A | TYR309 |
| A | MG402 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE MG A 402 |
| Chain | Residue |
| A | ASP84 |
| A | POP401 |
| A | MG404 |
| A | GOL405 |
| A | HOH688 |
| A | HOH689 |
| A | HOH690 |
| A | HOH691 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 403 |
| Chain | Residue |
| A | ASN213 |
| A | SER217 |
| A | GLU221 |
| A | POP401 |
| A | HOH687 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 404 |
| Chain | Residue |
| A | ASP84 |
| A | POP401 |
| A | MG402 |
| A | HOH685 |
| A | HOH686 |
| A | HOH691 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 405 |
| Chain | Residue |
| A | ASP84 |
| A | GLU88 |
| A | GLN151 |
| A | ARG156 |
| A | GLY232 |
| A | MG402 |
| A | HOH543 |
| A | HOH690 |
| A | HOH691 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 406 |
| Chain | Residue |
| A | ARG56 |
| A | LEU301 |
| C | GLU127 |
| C | HOH613 |
| C | HOH697 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 407 |
| Chain | Residue |
| A | HOH792 |
| A | HOH793 |
| A | HOH794 |
| A | HOH795 |
| A | HOH796 |
| A | HOH798 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 1SS A 408 |
| Chain | Residue |
| A | LEU77 |
| A | LEU80 |
| A | PHE81 |
| A | PHE147 |
| A | VAL173 |
| A | ASN213 |
| A | POP401 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE 1SS B 401 |
| Chain | Residue |
| B | LEU77 |
| B | LEU80 |
| B | PHE81 |
| B | VAL173 |
| B | LEU178 |
| B | POP402 |
| site_id | BC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE POP B 402 |
| Chain | Residue |
| B | ASP84 |
| B | ARG169 |
| B | ASN213 |
| B | SER217 |
| B | LYS220 |
| B | GLU221 |
| B | ARG308 |
| B | TYR309 |
| B | 1SS401 |
| B | MG403 |
| B | MG404 |
| B | MG405 |
| B | HOH710 |
| B | HOH711 |
| B | HOH712 |
| B | HOH715 |
| B | HOH716 |
| B | HOH717 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG B 403 |
| Chain | Residue |
| B | ASP84 |
| B | POP402 |
| B | MG405 |
| B | HOH713 |
| B | HOH714 |
| B | HOH715 |
| B | HOH716 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG B 404 |
| Chain | Residue |
| B | POP402 |
| B | HOH710 |
| B | ASN213 |
| B | SER217 |
| B | GLU221 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 405 |
| Chain | Residue |
| B | ASP84 |
| B | POP402 |
| B | MG403 |
| B | HOH711 |
| B | HOH716 |
| B | HOH717 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 406 |
| Chain | Residue |
| B | GLY108 |
| B | TYR123 |
| B | GLU127 |
| B | HOH620 |
| site_id | BC6 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE POP C 401 |
| Chain | Residue |
| C | ASP84 |
| C | ARG169 |
| C | ASN213 |
| C | SER217 |
| C | LYS220 |
| C | GLU221 |
| C | ARG308 |
| C | TYR309 |
| C | MG402 |
| C | MG403 |
| C | MG404 |
| C | 1SS406 |
| C | HOH617 |
| C | HOH634 |
| C | HOH635 |
| C | HOH638 |
| site_id | BC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG C 402 |
| Chain | Residue |
| C | ASP84 |
| C | POP401 |
| C | MG404 |
| C | HOH636 |
| C | HOH637 |
| C | HOH638 |
| C | HOH639 |
| site_id | BC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 403 |
| Chain | Residue |
| C | ASN213 |
| C | SER217 |
| C | GLU221 |
| C | POP401 |
| C | HOH642 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 404 |
| Chain | Residue |
| C | ASP84 |
| C | POP401 |
| C | MG402 |
| C | HOH634 |
| C | HOH635 |
| C | HOH637 |
| site_id | CC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL C 405 |
| Chain | Residue |
| B | ARG107 |
| B | GLU142 |
| B | ARG149 |
| B | HOH673 |
| C | ARG197 |
| C | LEU275 |
| C | HOH675 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE 1SS C 406 |
| Chain | Residue |
| C | LEU77 |
| C | LEU80 |
| C | PHE81 |
| C | VAL173 |
| C | ASN213 |
| C | POP401 |
| site_id | CC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE POP D 401 |
| Chain | Residue |
| D | ASP84 |
| D | ARG169 |
| D | ASN213 |
| D | SER217 |
| D | LYS220 |
| D | GLU221 |
| D | ARG308 |
| D | TYR309 |
| D | MG402 |
| D | MG403 |
| D | MG404 |
| D | 1SS405 |
| D | HOH590 |
| D | HOH598 |
| D | HOH601 |
| D | HOH603 |
| D | HOH636 |
| site_id | CC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG D 402 |
| Chain | Residue |
| D | ASP84 |
| D | POP401 |
| D | MG404 |
| D | HOH599 |
| D | HOH600 |
| D | HOH601 |
| D | HOH603 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG D 403 |
| Chain | Residue |
| D | ASN213 |
| D | SER217 |
| D | GLU221 |
| D | POP401 |
| D | HOH602 |
| site_id | CC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG D 404 |
| Chain | Residue |
| D | ASP84 |
| D | GLU88 |
| D | POP401 |
| D | MG402 |
| D | HOH598 |
| D | HOH603 |
| D | HOH636 |
| site_id | CC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 1SS D 405 |
| Chain | Residue |
| D | TYR61 |
| D | LEU77 |
| D | LEU80 |
| D | PHE81 |
| D | VAL173 |
| D | ASN213 |
| D | POP401 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17261032","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18385128","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17261032","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18385128","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3BNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"18385128","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3BNX","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
