4ITB
Structure of bacterial enzyme in complex with cofactor and substrate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| A | 0004777 | molecular_function | succinate-semialdehyde dehydrogenase (NAD+) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004030 | molecular_function | aldehyde dehydrogenase [NAD(P)+] activity |
| B | 0004777 | molecular_function | succinate-semialdehyde dehydrogenase (NAD+) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP A 501 |
| Chain | Residue |
| A | VAL127 |
| A | SER157 |
| A | ALA187 |
| A | GLY206 |
| A | SER207 |
| A | ALA210 |
| A | SER213 |
| A | GLU228 |
| A | LEU229 |
| A | ILE309 |
| A | GLU359 |
| A | MET128 |
| A | PHE361 |
| A | SSN502 |
| A | EDO506 |
| A | HOH625 |
| A | HOH715 |
| A | HOH738 |
| A | HOH782 |
| A | HOH925 |
| A | PRO129 |
| A | TRP130 |
| A | ASN131 |
| A | GLN136 |
| A | LYS154 |
| A | HIS155 |
| A | ALA156 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SSN A 502 |
| Chain | Residue |
| A | ASN131 |
| A | TRP135 |
| A | ARG139 |
| A | GLU228 |
| A | CYS262 |
| A | SER419 |
| A | NDP501 |
| A | HOH647 |
| A | HOH649 |
| A | HOH775 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 503 |
| Chain | Residue |
| A | GLU167 |
| A | GLU171 |
| A | PHE175 |
| A | PRO176 |
| A | VAL179 |
| A | PHE180 |
| A | HOH607 |
| A | HOH616 |
| A | HOH653 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 504 |
| Chain | Residue |
| A | LEU124 |
| A | PRO143 |
| A | ALA144 |
| A | ASN149 |
| A | GLY441 |
| A | ILE442 |
| A | THR444 |
| A | PHE445 |
| A | HOH730 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 505 |
| Chain | Residue |
| A | PRO22 |
| A | ARG48 |
| A | GLU96 |
| A | SER188 |
| A | GLN189 |
| A | HOH670 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 506 |
| Chain | Residue |
| A | ASP312 |
| A | GLN316 |
| A | GLU359 |
| A | LEU360 |
| A | PHE361 |
| A | NDP501 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 507 |
| Chain | Residue |
| A | GLU34 |
| A | ALA35 |
| A | GLU177 |
| A | HOH634 |
| B | SER45 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 508 |
| Chain | Residue |
| A | PRO224 |
| A | THR225 |
| A | EDO509 |
| B | PRO224 |
| B | THR225 |
| B | TYR433 |
| B | HOH769 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 509 |
| Chain | Residue |
| A | ALA215 |
| A | GLY219 |
| A | LYS223 |
| A | THR225 |
| A | TYR433 |
| A | EDO508 |
| B | GLY219 |
| B | TYR433 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 510 |
| Chain | Residue |
| A | GLU208 |
| A | LEU229 |
| A | GLY230 |
| A | GLU359 |
| A | HOH704 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 511 |
| Chain | Residue |
| A | PRO22 |
| A | GLU99 |
| A | GLN100 |
| A | GLN192 |
| A | HOH608 |
| A | HOH700 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 512 |
| Chain | Residue |
| A | GLU108 |
| A | GLN220 |
| A | HOH803 |
| A | TYR106 |
| site_id | BC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 513 |
| Chain | Residue |
| A | GLY409 |
| A | ALA410 |
| A | PRO424 |
| A | PHE425 |
| A | GLY426 |
| A | ARG435 |
| A | HOH748 |
| B | ALA448 |
| B | THR450 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 514 |
| Chain | Residue |
| A | ASP407 |
| A | THR428 |
| A | LYS429 |
| A | HOH742 |
| B | LEU121 |
| B | ASN447 |
| B | HOH651 |
| site_id | BC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE EDO A 515 |
| Chain | Residue |
| A | ILE3 |
| A | LYS154 |
| A | HIS155 |
| A | ALA156 |
| A | SER157 |
| A | PRO160 |
| A | LEU183 |
| A | LEU184 |
| A | ILE185 |
| A | HOH606 |
| site_id | BC7 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP B 501 |
| Chain | Residue |
| B | VAL127 |
| B | MET128 |
| B | PRO129 |
| B | TRP130 |
| B | ASN131 |
| B | LYS154 |
| B | HIS155 |
| B | ALA156 |
| B | SER157 |
| B | ALA187 |
| B | GLY206 |
| B | SER207 |
| B | ALA210 |
| B | SER213 |
| B | GLU228 |
| B | GLY230 |
| B | ILE309 |
| B | GLU359 |
| B | PHE361 |
| B | SSN502 |
| B | HOH650 |
| B | HOH723 |
| B | HOH751 |
| B | HOH854 |
| B | HOH938 |
| B | HOH941 |
| B | HOH945 |
| site_id | BC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SSN B 502 |
| Chain | Residue |
| B | ASN131 |
| B | TRP135 |
| B | GLN136 |
| B | ARG139 |
| B | GLU228 |
| B | CYS262 |
| B | SER419 |
| B | NDP501 |
| B | HOH631 |
| B | HOH647 |
| B | HOH759 |
| site_id | BC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 503 |
| Chain | Residue |
| B | GLU167 |
| B | GLU171 |
| B | PHE175 |
| B | PRO176 |
| B | VAL179 |
| B | PHE180 |
| B | HOH612 |
| B | HOH615 |
| B | HOH683 |
| site_id | CC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 504 |
| Chain | Residue |
| B | PRO22 |
| B | ARG48 |
| B | GLU99 |
| B | GLN100 |
| B | GLN192 |
| B | HOH605 |
| B | HOH691 |
| B | HOH727 |
| site_id | CC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 505 |
| Chain | Residue |
| B | SER288 |
| B | LEU289 |
| B | ASP300 |
| B | HOH696 |
| B | HOH762 |
| B | HOH907 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 506 |
| Chain | Residue |
| B | PRO22 |
| B | ARG48 |
| B | GLU96 |
| B | SER188 |
| B | GLN189 |
| B | HOH691 |
| site_id | CC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO B 507 |
| Chain | Residue |
| A | LEU121 |
| A | ASN447 |
| A | HOH667 |
| B | ASP407 |
| B | THR428 |
| B | LYS429 |
| B | HOH734 |
| site_id | CC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 508 |
| Chain | Residue |
| B | LEU124 |
| B | PRO143 |
| B | ALA144 |
| B | ASN149 |
| B | GLY441 |
| B | ILE442 |
| B | THR444 |
| B | PHE445 |
| B | HOH754 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 509 |
| Chain | Residue |
| B | ARG40 |
| B | ARG47 |
| B | TYR118 |
| B | PRO120 |
| B | ALA147 |
| site_id | CC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 510 |
| Chain | Residue |
| B | GLU208 |
| B | LEU229 |
| B | GLU359 |
| B | HOH705 |
| site_id | CC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 511 |
| Chain | Residue |
| B | HOH887 |
| B | HOH900 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 512 |
| Chain | Residue |
| B | TYR106 |
| B | GLU108 |
| B | GLN220 |
| B | HOH774 |
| site_id | DC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO B 513 |
| Chain | Residue |
| A | ALA448 |
| A | THR450 |
| B | GLY409 |
| B | ALA410 |
| B | PRO424 |
| B | PHE425 |
| B | GLY426 |
| B | ARG435 |
| B | HOH715 |
