5IN8
Crystal structure of Q151H Aspergillus terreus aristolochene synthase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| A | 0016829 | molecular_function | lyase activity |
| A | 0044281 | biological_process | small molecule metabolic process |
| A | 0045483 | molecular_function | aristolochene synthase activity |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| B | 0016829 | molecular_function | lyase activity |
| B | 0044281 | biological_process | small molecule metabolic process |
| B | 0045483 | molecular_function | aristolochene synthase activity |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0008299 | biological_process | isoprenoid biosynthetic process |
| C | 0016829 | molecular_function | lyase activity |
| C | 0044281 | biological_process | small molecule metabolic process |
| C | 0045483 | molecular_function | aristolochene synthase activity |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0008299 | biological_process | isoprenoid biosynthetic process |
| D | 0016829 | molecular_function | lyase activity |
| D | 0044281 | biological_process | small molecule metabolic process |
| 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 | 8 |
| Details | binding site for residue GOL A 401 |
| Chain | Residue |
| A | ARG107 |
| A | GLU142 |
| A | ARG149 |
| A | HOH551 |
| A | HOH555 |
| C | ARG197 |
| C | GLU200 |
| C | LEU275 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 402 |
| Chain | Residue |
| A | HOH599 |
| A | HOH617 |
| A | HOH664 |
| A | HOH702 |
| A | HOH709 |
| A | HOH593 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 403 |
| Chain | Residue |
| A | ASN213 |
| A | SER217 |
| A | GLU221 |
| A | PO4404 |
| A | HOH501 |
| A | HOH609 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue PO4 A 404 |
| Chain | Residue |
| A | ASN213 |
| A | SER217 |
| A | LYS220 |
| A | GLU221 |
| A | ARG308 |
| A | TYR309 |
| A | MG403 |
| A | HOH609 |
| A | HOH664 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 405 |
| Chain | Residue |
| A | GLY108 |
| A | TYR123 |
| A | GLU127 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | binding site for residue POP B 401 |
| Chain | Residue |
| B | ARG169 |
| B | ASN213 |
| B | SER217 |
| B | LYS220 |
| B | GLU221 |
| B | ARG308 |
| B | TYR309 |
| B | MG402 |
| B | MG403 |
| B | HOH502 |
| B | HOH503 |
| B | HOH504 |
| B | HOH505 |
| B | HOH507 |
| B | HOH514 |
| B | HOH639 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 402 |
| Chain | Residue |
| B | ASN213 |
| B | SER217 |
| B | GLU221 |
| B | POP401 |
| B | HOH508 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 403 |
| Chain | Residue |
| B | POP401 |
| B | HOH503 |
| B | HOH519 |
| B | HOH607 |
| B | HOH639 |
| B | HOH654 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 404 |
| Chain | Residue |
| B | PRO10 |
| B | GLU300 |
| B | GLN304 |
| B | HOH535 |
| B | HOH584 |
| C | ARG114 |
| C | ASP124 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue GOL B 405 |
| Chain | Residue |
| B | GLU9 |
| C | GLU29 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue GOL C 401 |
| Chain | Residue |
| A | ARG197 |
| A | LEU275 |
| A | HOH595 |
| C | ARG107 |
| C | GLU142 |
| C | ARG149 |
| C | HOH517 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 402 |
| Chain | Residue |
| C | ASN213 |
| C | SER217 |
| C | GLU221 |
| C | PO4404 |
| C | HOH506 |
| C | HOH507 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 403 |
| Chain | Residue |
| C | HOH522 |
| C | HOH557 |
| C | HOH561 |
| C | HOH615 |
| C | HOH630 |
| C | HOH634 |
| site_id | AD5 |
| Number of Residues | 9 |
| Details | binding site for residue PO4 C 404 |
| Chain | Residue |
| C | PHE81 |
| C | ASN213 |
| C | LYS220 |
| C | GLU221 |
| C | ARG308 |
| C | TYR309 |
| C | MG402 |
| C | HOH506 |
| C | HOH522 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 405 |
| Chain | Residue |
| C | TYR120 |
| B | PRO12 |
| B | SER13 |
| C | ARG114 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue GOL C 406 |
| Chain | Residue |
| C | LEU35 |
| C | GLU43 |
| C | ARG46 |
| site_id | AD8 |
| Number of Residues | 7 |
| Details | binding site for residue MG D 401 |
| Chain | Residue |
| D | ARG169 |
| D | ASN213 |
| D | SER217 |
| D | GLU221 |
| D | PO4403 |
| D | HOH501 |
| D | HOH505 |
| site_id | AD9 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 402 |
| Chain | Residue |
| D | HOH536 |
| D | HOH552 |
| D | HOH554 |
| D | HOH565 |
| D | HOH572 |
| site_id | AE1 |
| Number of Residues | 12 |
| Details | binding site for residue PO4 D 403 |
| Chain | Residue |
| D | PHE81 |
| D | ASN213 |
| D | SER217 |
| D | LYS220 |
| D | GLU221 |
| D | ARG308 |
| D | TYR309 |
| D | MG401 |
| D | HOH501 |
| D | HOH507 |
| D | HOH508 |
| D | HOH554 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:17261032, ECO:0000269|PubMed:18385128 |
| Chain | Residue | Details |
| A | ASP84 | |
| C | ASN213 | |
| C | SER217 | |
| C | GLU221 | |
| D | ASP84 | |
| D | ASN213 | |
| D | SER217 | |
| D | GLU221 | |
| A | ASN213 | |
| A | SER217 | |
| A | GLU221 | |
| B | ASP84 | |
| B | ASN213 | |
| B | SER217 | |
| B | GLU221 | |
| C | ASP84 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:18385128 |
| Chain | Residue | Details |
| A | ARG169 | |
| A | LYS220 | |
| B | ARG169 | |
| B | LYS220 | |
| C | ARG169 | |
| C | LYS220 | |
| D | ARG169 | |
| D | LYS220 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ARG308 | |
| B | ARG308 | |
| C | ARG308 | |
| D | ARG308 |
