2F99
Crystal structure of the polyketide cyclase AknH with bound substrate and product analogue: implications for catalytic mechanism and product stereoselectivity.
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0016853 | molecular_function | isomerase activity |
A | 0016872 | molecular_function | intramolecular lyase activity |
A | 0017000 | biological_process | antibiotic biosynthetic process |
A | 0030638 | biological_process | polyketide metabolic process |
A | 0044598 | biological_process | doxorubicin metabolic process |
A | 1901771 | biological_process | daunorubicin biosynthetic process |
B | 0016853 | molecular_function | isomerase activity |
B | 0016872 | molecular_function | intramolecular lyase activity |
B | 0017000 | biological_process | antibiotic biosynthetic process |
B | 0030638 | biological_process | polyketide metabolic process |
B | 0044598 | biological_process | doxorubicin metabolic process |
B | 1901771 | biological_process | daunorubicin biosynthetic process |
C | 0016853 | molecular_function | isomerase activity |
C | 0016872 | molecular_function | intramolecular lyase activity |
C | 0017000 | biological_process | antibiotic biosynthetic process |
C | 0030638 | biological_process | polyketide metabolic process |
C | 0044598 | biological_process | doxorubicin metabolic process |
C | 1901771 | biological_process | daunorubicin biosynthetic process |
D | 0016853 | molecular_function | isomerase activity |
D | 0016872 | molecular_function | intramolecular lyase activity |
D | 0017000 | biological_process | antibiotic biosynthetic process |
D | 0030638 | biological_process | polyketide metabolic process |
D | 0044598 | biological_process | doxorubicin metabolic process |
D | 1901771 | biological_process | daunorubicin biosynthetic process |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 D 1276 |
Chain | Residue |
D | ARG73 |
D | ALA74 |
D | HOH1362 |
site_id | AC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE SO4 C 1277 |
Chain | Residue |
C | ARG73 |
C | ALA74 |
C | HOH1402 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 B 1278 |
Chain | Residue |
B | HOH1371 |
B | GLU72 |
B | ARG73 |
B | ALA74 |
site_id | AC4 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE SO4 A 1279 |
Chain | Residue |
A | ALA74 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 C 1280 |
Chain | Residue |
C | THR139 |
C | GLU140 |
C | HOH1371 |
C | HOH1410 |
C | HOH1411 |
D | HIS110 |
site_id | AC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 D 1281 |
Chain | Residue |
C | HIS110 |
C | HOH1362 |
D | THR139 |
D | GLU140 |
D | HIS141 |
site_id | AC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 A 1282 |
Chain | Residue |
A | THR139 |
A | GLU140 |
A | HOH1384 |
B | HIS110 |
site_id | AC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE SO4 B 1283 |
Chain | Residue |
A | HIS110 |
B | GLU138 |
B | THR139 |
B | GLU140 |
B | HIS141 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 D 1284 |
Chain | Residue |
C | TRP136 |
D | ARG73 |
D | ARG78 |
D | HOH1384 |
site_id | BC1 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 1285 |
Chain | Residue |
C | ARG73 |
C | ARG78 |
C | HOH1363 |
D | TRP136 |
site_id | BC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 B 1286 |
Chain | Residue |
A | TRP136 |
B | GLU71 |
B | ARG78 |
B | HOH1361 |
site_id | BC3 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE AKV C 1333 |
Chain | Residue |
C | PHE39 |
C | ASN51 |
C | TRP54 |
C | MET91 |
C | VAL92 |
C | ASP121 |
C | PRO123 |
C | TYR125 |
C | THR128 |
C | HOH1341 |
C | HOH1386 |
C | HOH1412 |
D | TRP122 |
site_id | BC4 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE AKV B 1334 |
Chain | Residue |
A | TRP122 |
B | PHE39 |
B | ASN51 |
B | TRP54 |
B | MET91 |
B | VAL92 |
B | GLN105 |
B | ASP121 |
B | PRO123 |
B | TYR125 |
B | THR128 |
B | HOH1358 |
B | HOH1360 |
B | HOH1478 |
site_id | BC5 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE AKV A 1335 |
Chain | Residue |
A | PHE39 |
A | ASN51 |
A | TRP54 |
A | VAL55 |
A | MET91 |
A | VAL92 |
A | GLN105 |
A | ASP121 |
A | PRO123 |
A | TYR125 |
A | THR128 |
A | HOH1349 |
A | HOH1395 |
A | HOH1428 |
B | TRP122 |
site_id | BC6 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE AKV D 1336 |
Chain | Residue |
D | HOH1461 |
C | TRP122 |
D | ASN33 |
D | THR36 |
D | PHE39 |
D | ASN51 |
D | TRP54 |
D | MET91 |
D | VAL92 |
D | ASP121 |
D | PRO123 |
D | TYR125 |
D | THR128 |
D | HOH1437 |
D | HOH1459 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 8 |
Details | BINDING: |
Chain | Residue | Details |
A | ASN51 | |
A | GLN105 | |
B | ASN51 | |
B | GLN105 | |
C | ASN51 | |
C | GLN105 | |
D | ASN51 | |
D | GLN105 |