5IMN
Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0010333 | molecular_function | terpene synthase activity |
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 | 0010333 | molecular_function | terpene synthase activity |
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 | 0010333 | molecular_function | terpene synthase activity |
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 | 0010333 | molecular_function | terpene synthase activity |
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 | 19 |
Details | binding site for residue POP A 401 |
Chain | Residue |
A | ASP84 |
A | MG403 |
A | MG404 |
A | JF1406 |
A | HOH502 |
A | HOH505 |
A | HOH509 |
A | HOH519 |
A | HOH531 |
A | HOH533 |
A | HOH581 |
A | ARG169 |
A | ASN213 |
A | SER217 |
A | LYS220 |
A | GLU221 |
A | ARG308 |
A | TYR309 |
A | MG402 |
site_id | AC2 |
Number of Residues | 7 |
Details | binding site for residue MG A 402 |
Chain | Residue |
A | ASP84 |
A | POP401 |
A | MG403 |
A | HOH509 |
A | HOH519 |
A | HOH533 |
A | HOH546 |
site_id | AC3 |
Number of Residues | 7 |
Details | binding site for residue MG A 403 |
Chain | Residue |
A | ASP84 |
A | GLU88 |
A | POP401 |
A | MG402 |
A | HOH502 |
A | HOH519 |
A | HOH531 |
site_id | AC4 |
Number of Residues | 5 |
Details | binding site for residue MG A 404 |
Chain | Residue |
A | ASN213 |
A | SER217 |
A | GLU221 |
A | POP401 |
A | HOH505 |
site_id | AC5 |
Number of Residues | 5 |
Details | binding site for residue GOL A 405 |
Chain | Residue |
A | ARG107 |
A | GLU142 |
A | ARG149 |
C | ARG197 |
C | GLU200 |
site_id | AC6 |
Number of Residues | 7 |
Details | binding site for residue JF1 A 406 |
Chain | Residue |
A | TYR61 |
A | PHE81 |
A | VAL173 |
A | LEU178 |
A | LEU209 |
A | ASN213 |
A | POP401 |
site_id | AC7 |
Number of Residues | 18 |
Details | binding site for residue POP B 401 |
Chain | Residue |
B | PHE81 |
B | ASP84 |
B | ARG169 |
B | ASN213 |
B | SER217 |
B | LYS220 |
B | GLU221 |
B | ARG308 |
B | TYR309 |
B | MG402 |
B | MG403 |
B | MG404 |
B | JF1405 |
B | HOH510 |
B | HOH511 |
B | HOH515 |
B | HOH536 |
B | HOH540 |
site_id | AC8 |
Number of Residues | 7 |
Details | binding site for residue MG B 402 |
Chain | Residue |
B | ASP84 |
B | POP401 |
B | MG403 |
B | HOH529 |
B | HOH539 |
B | HOH540 |
B | HOH554 |
site_id | AC9 |
Number of Residues | 8 |
Details | binding site for residue MG B 403 |
Chain | Residue |
B | ASP84 |
B | GLU88 |
B | LYS220 |
B | POP401 |
B | MG402 |
B | HOH510 |
B | HOH511 |
B | HOH529 |
site_id | AD1 |
Number of Residues | 5 |
Details | binding site for residue MG B 404 |
Chain | Residue |
B | ASN213 |
B | SER217 |
B | GLU221 |
B | POP401 |
B | HOH536 |
site_id | AD2 |
Number of Residues | 8 |
Details | binding site for residue JF1 B 405 |
Chain | Residue |
B | TYR61 |
B | PHE81 |
B | PHE147 |
B | VAL173 |
B | LEU178 |
B | LEU209 |
B | ASN213 |
B | POP401 |
site_id | AD3 |
Number of Residues | 15 |
Details | binding site for residue POP C 401 |
Chain | Residue |
C | ASN213 |
C | SER217 |
C | LYS220 |
C | GLU221 |
C | ARG308 |
C | TYR309 |
C | MG402 |
C | MG403 |
C | MG404 |
C | JF1405 |
C | HOH514 |
C | HOH516 |
C | PHE81 |
C | ASP84 |
C | ARG169 |
site_id | AD4 |
Number of Residues | 7 |
Details | binding site for residue MG C 402 |
Chain | Residue |
C | ASP84 |
C | POP401 |
C | MG403 |
C | HOH510 |
C | HOH514 |
C | HOH520 |
C | HOH533 |
site_id | AD5 |
Number of Residues | 7 |
Details | binding site for residue MG C 403 |
Chain | Residue |
C | ASP84 |
C | GLU88 |
C | LYS220 |
C | POP401 |
C | MG402 |
C | HOH510 |
C | HOH516 |
site_id | AD6 |
Number of Residues | 5 |
Details | binding site for residue MG C 404 |
Chain | Residue |
C | ASN213 |
C | SER217 |
C | GLU221 |
C | POP401 |
C | HOH504 |
site_id | AD7 |
Number of Residues | 6 |
Details | binding site for residue JF1 C 405 |
Chain | Residue |
C | TYR61 |
C | PHE81 |
C | VAL173 |
C | LEU178 |
C | ASN213 |
C | POP401 |
site_id | AD8 |
Number of Residues | 17 |
Details | binding site for residue POP D 401 |
Chain | Residue |
D | PHE81 |
D | ASP84 |
D | ARG169 |
D | ASN213 |
D | SER217 |
D | LYS220 |
D | GLU221 |
D | ARG308 |
D | TYR309 |
D | MG402 |
D | MG403 |
D | MG404 |
D | JF1405 |
D | HOH501 |
D | HOH508 |
D | HOH512 |
D | HOH520 |
site_id | AD9 |
Number of Residues | 7 |
Details | binding site for residue MG D 402 |
Chain | Residue |
D | ASP84 |
D | POP401 |
D | MG403 |
D | HOH501 |
D | HOH511 |
D | HOH515 |
D | HOH523 |
site_id | AE1 |
Number of Residues | 8 |
Details | binding site for residue MG D 403 |
Chain | Residue |
D | ASP84 |
D | GLU88 |
D | LYS220 |
D | POP401 |
D | MG402 |
D | HOH508 |
D | HOH512 |
D | HOH523 |
site_id | AE2 |
Number of Residues | 5 |
Details | binding site for residue MG D 404 |
Chain | Residue |
D | ASN213 |
D | SER217 |
D | GLU221 |
D | POP401 |
D | HOH503 |
site_id | AE3 |
Number of Residues | 6 |
Details | binding site for residue JF1 D 405 |
Chain | Residue |
D | TYR61 |
D | PHE81 |
D | VAL173 |
D | LEU178 |
D | ASN213 |
D | POP401 |
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 |
B | ASP84 | |
B | ASN213 | |
B | SER217 | |
B | GLU221 | |
C | ASP84 | |
C | ASN213 | |
C | SER217 | |
C | GLU221 | |
D | ASP84 | |
D | ASN213 | |
D | SER217 | |
D | GLU221 | |
A | ASN213 | |
A | SER217 | |
A | GLU221 | |
A | ASP84 |
site_id | SWS_FT_FI2 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000269|PubMed:18385128 |
Chain | Residue | Details |
A | LYS220 | |
B | ARG169 | |
B | LYS220 | |
C | ARG169 | |
C | LYS220 | |
D | ARG169 | |
D | LYS220 | |
A | ARG169 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: |
Chain | Residue | Details |
A | ARG308 | |
B | ARG308 | |
C | ARG308 | |
D | ARG308 |