3IHG
Crystal structure of a ternary complex of aklavinone-11 hydroxylase with FAD and aklavinone
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| A | 0017000 | biological_process | antibiotic biosynthetic process |
| A | 0071949 | molecular_function | FAD binding |
| A | 1901771 | biological_process | daunorubicin biosynthetic process |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| B | 0017000 | biological_process | antibiotic biosynthetic process |
| B | 0071949 | molecular_function | FAD binding |
| B | 1901771 | biological_process | daunorubicin biosynthetic process |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| C | 0017000 | biological_process | antibiotic biosynthetic process |
| C | 0071949 | molecular_function | FAD binding |
| C | 1901771 | biological_process | daunorubicin biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE FAD A 536 |
| Chain | Residue |
| A | GLY12 |
| A | THR141 |
| A | ARG142 |
| A | LEU143 |
| A | ALA178 |
| A | ASP179 |
| A | GLY180 |
| A | PHE246 |
| A | TRP288 |
| A | GLY307 |
| A | ASP308 |
| A | GLY14 |
| A | SER320 |
| A | ALA324 |
| A | VAK537 |
| A | HOH568 |
| A | HOH570 |
| A | LEU15 |
| A | GLY16 |
| A | GLU35 |
| A | ARG36 |
| A | ARG45 |
| A | ALA46 |
| A | GLN119 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE VAK A 537 |
| Chain | Residue |
| A | ALA47 |
| A | ILE72 |
| A | PHE79 |
| A | MET202 |
| A | TRP222 |
| A | TYR224 |
| A | THR233 |
| A | PRO315 |
| A | THR316 |
| A | GLY317 |
| A | GLY318 |
| A | FAD536 |
| A | HOH629 |
| A | HOH641 |
| A | HOH647 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 538 |
| Chain | Residue |
| A | ARG530 |
| A | ARG535 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 539 |
| Chain | Residue |
| A | ARG93 |
| A | ARG373 |
| A | HOH562 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 540 |
| Chain | Residue |
| A | GLY197 |
| A | THR198 |
| A | ARG293 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 541 |
| Chain | Residue |
| A | ARG26 |
| A | GLY61 |
| A | GLN129 |
| A | LYS132 |
| A | HIS133 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 542 |
| Chain | Residue |
| A | GLY74 |
| A | THR75 |
| A | GLN76 |
| A | GLY218 |
| A | THR219 |
| A | THR220 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 543 |
| Chain | Residue |
| A | ARG193 |
| A | HOH571 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 544 |
| Chain | Residue |
| A | ARG30 |
| A | LEU32 |
| A | ARG138 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 545 |
| Chain | Residue |
| A | THR405 |
| A | PRO422 |
| A | ARG513 |
| A | HOH548 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 546 |
| Chain | Residue |
| A | LYS121 |
| A | ARG239 |
| A | ARG475 |
| A | HOH589 |
| site_id | BC3 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE FAD B 536 |
| Chain | Residue |
| B | GLY12 |
| B | GLY14 |
| B | LEU15 |
| B | GLY16 |
| B | GLU35 |
| B | ARG36 |
| B | ARG37 |
| B | ARG45 |
| B | ALA46 |
| B | GLN119 |
| B | THR141 |
| B | ARG142 |
| B | LEU143 |
| B | ALA178 |
| B | ASP179 |
| B | GLY180 |
| B | PHE246 |
| B | TRP288 |
| B | GLY307 |
| B | ASP308 |
| B | SER320 |
| B | ALA324 |
| B | VAK537 |
| B | HOH544 |
| B | HOH551 |
| B | HOH555 |
| B | HOH559 |
| site_id | BC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE VAK B 537 |
| Chain | Residue |
| B | ILE72 |
| B | PHE79 |
| B | MET202 |
| B | TRP222 |
| B | TYR224 |
| B | PRO315 |
| B | THR316 |
| B | GLY317 |
| B | GLY318 |
| B | FAD536 |
| B | HOH545 |
| B | HOH554 |
| B | ALA47 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 538 |
| Chain | Residue |
| B | ARG530 |
| B | ARG535 |
| site_id | BC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 539 |
| Chain | Residue |
| B | ARG93 |
| B | ARG373 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 541 |
| Chain | Residue |
| B | ARG26 |
| B | GLY61 |
| B | GLN129 |
| B | LYS132 |
| B | HIS133 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 542 |
| Chain | Residue |
| B | GLY74 |
| B | THR75 |
| B | GLN76 |
| B | GLY218 |
| B | THR219 |
| B | THR220 |
| site_id | BC9 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE FAD C 536 |
| Chain | Residue |
| C | GLY12 |
| C | GLY14 |
| C | LEU15 |
| C | GLY16 |
| C | GLU35 |
| C | ARG36 |
| C | ARG37 |
| C | ARG45 |
| C | ALA46 |
| C | GLN119 |
| C | THR141 |
| C | LEU143 |
| C | ALA178 |
| C | ASP179 |
| C | GLY180 |
| C | LEU184 |
| C | PHE246 |
| C | GLN286 |
| C | TRP288 |
| C | GLY307 |
| C | ASP308 |
| C | SER320 |
| C | ALA324 |
| C | VAK537 |
| C | HOH546 |
| C | HOH550 |
| site_id | CC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE VAK C 537 |
| Chain | Residue |
| C | ALA47 |
| C | ILE72 |
| C | PHE79 |
| C | MET116 |
| C | MET202 |
| C | TRP222 |
| C | TYR224 |
| C | THR233 |
| C | PRO315 |
| C | THR316 |
| C | GLY317 |
| C | GLY318 |
| C | FAD536 |
| site_id | CC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 C 538 |
| Chain | Residue |
| C | ARG530 |
| C | ARG535 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 539 |
| Chain | Residue |
| C | ARG93 |
| C | GLN372 |
| C | ARG373 |
| C | HOH561 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 540 |
| Chain | Residue |
| C | GLY197 |
| C | THR198 |
| C | ARG293 |
| site_id | CC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 541 |
| Chain | Residue |
| C | ARG26 |
| C | GLY61 |
| C | GLN129 |
| C | LYS132 |
| C | HIS133 |
| site_id | CC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 C 542 |
| Chain | Residue |
| C | GLY74 |
| C | THR75 |
| C | GLN76 |
| C | GLY218 |
| C | THR219 |
| C | THR220 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:19744497 |
| Chain | Residue | Details |
| A | TYR224 | |
| B | TYR224 | |
| C | TYR224 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 18 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19744497, ECO:0007744|PDB:3IHG |
| Chain | Residue | Details |
| A | LEU15 | |
| B | GLN119 | |
| B | LEU143 | |
| B | ASP308 | |
| C | LEU15 | |
| C | GLY16 | |
| C | GLU35 | |
| C | GLN119 | |
| C | LEU143 | |
| C | ASP308 | |
| A | GLY16 | |
| A | GLU35 | |
| A | GLN119 | |
| A | LEU143 | |
| A | ASP308 | |
| B | LEU15 | |
| B | GLY16 | |
| B | GLU35 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19744497 |
| Chain | Residue | Details |
| A | GLY317 | |
| B | GLY317 | |
| C | GLY317 |
