3OIB
Crystal structure of a putative ACYL-COA Dehydrogenase from mycobacterium smegmatis, Iodide soak
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003995 | molecular_function | acyl-CoA dehydrogenase activity |
| A | 0006552 | biological_process | L-leucine catabolic process |
| A | 0008470 | molecular_function | isovaleryl-CoA dehydrogenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0003995 | molecular_function | acyl-CoA dehydrogenase activity |
| B | 0006552 | biological_process | L-leucine catabolic process |
| B | 0008470 | molecular_function | isovaleryl-CoA dehydrogenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016627 | molecular_function | oxidoreductase activity, acting on the CH-CH group of donors |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA A 502 |
| Chain | Residue |
| A | ARG321 |
| A | HOH636 |
| A | HOH661 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA B 502 |
| Chain | Residue |
| A | HIS322 |
| A | HOH643 |
| B | ARG321 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD A 404 |
| Chain | Residue |
| A | LYS65 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD B 404 |
| Chain | Residue |
| A | ASN343 |
| A | THR392 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD A 405 |
| Chain | Residue |
| B | ASN343 |
| B | THR392 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD A 406 |
| Chain | Residue |
| A | HIS50 |
| A | ARG373 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD B 405 |
| Chain | Residue |
| B | HIS50 |
| B | ARG373 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD B 406 |
| Chain | Residue |
| B | LYS65 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD A 407 |
| Chain | Residue |
| A | ASP79 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IOD A 408 |
| Chain | Residue |
| A | GLU368 |
| B | ARG218 |
| B | ASP221 |
| B | HOH637 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD A 409 |
| Chain | Residue |
| A | LYS141 |
| A | HOH772 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD B 410 |
| Chain | Residue |
| B | HIS169 |
| I | IOD28 |
| site_id | BC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD A 411 |
| Chain | Residue |
| A | ASN288 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD B 411 |
| Chain | Residue |
| A | ARG218 |
| A | ASP221 |
| site_id | BC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD B 412 |
| Chain | Residue |
| B | VAL338 |
| site_id | BC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD A 412 |
| Chain | Residue |
| A | ARG160 |
| A | ALA175 |
| site_id | BC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD B 414 |
| Chain | Residue |
| B | GLN327 |
| site_id | BC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD B 415 |
| Chain | Residue |
| B | GLY151 |
| site_id | CC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD A 414 |
| Chain | Residue |
| A | ARG264 |
| site_id | CC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD A 415 |
| Chain | Residue |
| A | ALA258 |
| site_id | CC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD A 416 |
| Chain | Residue |
| A | GLY151 |
| A | ARG160 |
| site_id | CC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE IOD B 416 |
| Chain | Residue |
| B | ALA175 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE IOD I 28 |
| Chain | Residue |
| B | HIS169 |
| B | ARG239 |
| site_id | CC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE FDA B 500 |
| Chain | Residue |
| A | ARG289 |
| A | THR291 |
| A | LEU296 |
| A | ARG299 |
| A | GLN300 |
| A | GLN358 |
| A | LEU359 |
| A | GLY361 |
| A | GLY362 |
| A | HOH677 |
| B | LEU145 |
| B | ILE147 |
| B | THR148 |
| B | GLY153 |
| B | SER154 |
| B | TYR178 |
| B | ILE179 |
| B | THR180 |
| B | LYS222 |
| B | ILE383 |
| B | THR387 |
| B | GLU389 |
| B | HOH650 |
| B | HOH729 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 501 |
| Chain | Residue |
| A | GLN276 |
| A | ALA310 |
| A | ARG317 |
| A | HOH759 |
| B | LEU399 |
| site_id | CC8 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE FDA A 500 |
| Chain | Residue |
| A | LEU145 |
| A | ILE147 |
| A | THR148 |
| A | GLY152 |
| A | GLY153 |
| A | SER154 |
| A | TYR178 |
| A | ILE179 |
| A | THR180 |
| A | LYS222 |
| A | ILE380 |
| A | ILE383 |
| A | THR387 |
| A | GLU389 |
| A | HOH649 |
| A | HOH655 |
| A | HOH733 |
| A | HOH766 |
| B | ARG289 |
| B | THR291 |
| B | LEU296 |
| B | ARG299 |
| B | GLN300 |
| B | GLN358 |
| B | LEU359 |
| B | GLY361 |
| B | GLY362 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 501 |
| Chain | Residue |
| B | ARG317 |
| B | HOH641 |
| A | HOH699 |
| B | GLN276 |
| B | ALA310 |
Functional Information from PROSITE/UniProt
| site_id | PS00073 |
| Number of Residues | 20 |
| Details | ACYL_COA_DH_2 Acyl-CoA dehydrogenases signature 2. QlFGGmGYmaEseveRqyrD |
| Chain | Residue | Details |
| A | GLN358-ASP377 |
