4ITA
Structure of bacterial enzyme in complex with cofactor
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 | 34 |
Details | BINDING SITE FOR RESIDUE NDP A 501 |
Chain | Residue |
A | VAL127 |
A | SER157 |
A | ALA187 |
A | THR205 |
A | GLY206 |
A | SER207 |
A | ALA210 |
A | SER213 |
A | GLU228 |
A | LEU229 |
A | GLY230 |
A | MET128 |
A | CYS262 |
A | GLU359 |
A | PHE361 |
A | PHE425 |
A | EDO511 |
A | EDO513 |
A | HOH637 |
A | HOH676 |
A | HOH677 |
A | HOH721 |
A | TRP130 |
A | HOH741 |
A | HOH743 |
A | HOH879 |
A | HOH897 |
A | HOH910 |
A | ASN131 |
A | GLN136 |
A | ARG139 |
A | LYS154 |
A | HIS155 |
A | ALA156 |
site_id | AC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 502 |
Chain | Residue |
A | GLN319 |
A | ALA353 |
A | LYS354 |
A | ILE355 |
A | HOH692 |
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 | HOH605 |
A | HOH630 |
A | HOH693 |
site_id | AC4 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE EDO A 504 |
Chain | Residue |
A | PRO143 |
A | ALA144 |
A | ASN149 |
A | GLY441 |
A | ILE442 |
A | THR444 |
A | PHE445 |
A | HOH650 |
site_id | AC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 505 |
Chain | Residue |
A | LEU310 |
A | ARG336 |
A | GLY338 |
A | TYR339 |
A | HOH615 |
site_id | AC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 506 |
Chain | Residue |
A | PRO22 |
A | ARG48 |
A | GLU96 |
A | SER188 |
A | GLN189 |
A | HOH718 |
site_id | AC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 507 |
Chain | Residue |
A | GLN316 |
A | GLU359 |
A | LEU360 |
A | PHE361 |
A | EDO513 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 508 |
Chain | Residue |
A | GLU34 |
A | ALA35 |
A | GLU177 |
A | HOH664 |
A | HOH908 |
B | SER45 |
site_id | AC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO A 509 |
Chain | Residue |
A | PRO224 |
A | THR225 |
A | TYR433 |
A | HOH787 |
A | HOH822 |
B | PRO224 |
B | THR225 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 510 |
Chain | Residue |
A | ASP372 |
A | ASP374 |
A | HOH699 |
B | ALA397 |
B | ARG401 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 511 |
Chain | Residue |
A | SER207 |
A | GLU208 |
A | GLY230 |
A | GLU359 |
A | NDP501 |
A | HOH748 |
site_id | BC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 512 |
Chain | Residue |
A | HOH614 |
A | HOH730 |
A | GLU99 |
A | GLN100 |
A | GLN192 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 513 |
Chain | Residue |
A | GLU359 |
A | PHE361 |
A | NDP501 |
A | EDO507 |
site_id | BC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 514 |
Chain | Residue |
A | TYR106 |
A | GLU108 |
A | GLN220 |
A | HOH848 |
B | HOH734 |
site_id | BC6 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE EDO A 515 |
Chain | Residue |
A | GLY409 |
A | PRO424 |
A | PHE425 |
A | GLY426 |
A | ARG435 |
A | HOH812 |
A | HOH938 |
B | ALA448 |
B | THR450 |
site_id | BC7 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE EDO A 516 |
Chain | Residue |
A | PHE132 |
A | TRP135 |
A | GLN136 |
A | ARG139 |
A | CYS262 |
A | SER419 |
A | HOH711 |
A | HOH794 |
site_id | BC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 517 |
Chain | Residue |
A | ARG40 |
A | ARG47 |
A | PRO120 |
A | ALA147 |
A | HOH829 |
A | HOH846 |
site_id | BC9 |
Number of Residues | 34 |
Details | BINDING SITE FOR RESIDUE NDP B 501 |
Chain | Residue |
B | VAL127 |
B | MET128 |
B | TRP130 |
B | ASN131 |
B | GLN136 |
B | ARG139 |
B | LYS154 |
B | HIS155 |
B | ALA156 |
B | SER157 |
B | ALA187 |
B | THR205 |
B | GLY206 |
B | SER207 |
B | ALA210 |
B | SER213 |
B | GLU228 |
B | LEU229 |
B | GLY230 |
B | CYS262 |
B | GLU359 |
B | PHE361 |
B | PHE425 |
B | EDO515 |
B | HOH649 |
B | HOH669 |
B | HOH689 |
B | HOH692 |
B | HOH744 |
B | HOH757 |
B | HOH832 |
B | HOH840 |
B | HOH853 |
B | HOH855 |
site_id | CC1 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE EDO B 502 |
Chain | Residue |
B | ILE3 |
B | LYS154 |
B | HIS155 |
B | ALA156 |
B | SER157 |
B | PRO160 |
B | LEU183 |
B | LEU184 |
B | ILE185 |
B | HOH602 |
site_id | CC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 503 |
Chain | Residue |
B | PRO22 |
B | ARG48 |
B | GLU96 |
B | SER188 |
B | GLN189 |
B | HOH718 |
site_id | CC3 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE EDO B 504 |
Chain | Residue |
B | GLU167 |
B | GLU171 |
B | PHE175 |
B | PRO176 |
B | VAL179 |
B | PHE180 |
B | HOH620 |
B | HOH636 |
B | HOH709 |
site_id | CC4 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 505 |
Chain | Residue |
B | GLU99 |
B | GLN100 |
B | GLN192 |
B | HOH614 |
B | HOH745 |
site_id | CC5 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO B 506 |
Chain | Residue |
B | LEU310 |
B | ARG336 |
B | GLY338 |
B | HOH630 |
site_id | CC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 507 |
Chain | Residue |
B | GLN316 |
B | GLU359 |
B | LEU360 |
B | PHE361 |
B | HOH910 |
site_id | CC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 508 |
Chain | Residue |
A | GLN46 |
B | ALA38 |
B | TYR39 |
B | THR42 |
B | PRO176 |
B | HOH643 |
site_id | CC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 509 |
Chain | Residue |
B | SER288 |
B | LEU289 |
B | ASP300 |
B | HOH680 |
B | HOH754 |
B | HOH880 |
site_id | CC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 510 |
Chain | Residue |
B | GLU96 |
B | GLY186 |
B | ALA187 |
B | SER188 |
B | HOH935 |
site_id | DC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 511 |
Chain | Residue |
A | LEU121 |
A | ASN447 |
A | HOH668 |
B | ASP407 |
B | THR428 |
B | LYS429 |
site_id | DC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE EDO B 512 |
Chain | Residue |
B | PHE132 |
B | TRP135 |
B | GLN136 |
B | CYS262 |
B | SER419 |
B | EDO518 |
B | HOH682 |
B | HOH813 |
site_id | DC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 513 |
Chain | Residue |
B | GLN319 |
B | ALA353 |
B | LYS354 |
B | ILE355 |
B | HOH698 |
site_id | DC4 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE EDO B 514 |
Chain | Residue |
B | PRO143 |
B | ALA144 |
B | ASN149 |
B | GLY441 |
B | ILE442 |
B | THR444 |
B | PHE445 |
B | HOH671 |
site_id | DC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 515 |
Chain | Residue |
B | SER207 |
B | GLU208 |
B | GLY230 |
B | GLU359 |
B | NDP501 |
B | HOH751 |
site_id | DC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 516 |
Chain | Residue |
A | ALA397 |
A | ARG401 |
B | ASP372 |
B | ASP374 |
B | HOH703 |
site_id | DC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 517 |
Chain | Residue |
B | TYR106 |
B | GLU108 |
B | GLN220 |
B | HOH738 |
B | HOH793 |
site_id | DC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 518 |
Chain | Residue |
B | GLU83 |
B | LYS86 |
B | PHE132 |
B | EDO512 |
B | HOH750 |
site_id | DC9 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE EDO B 519 |
Chain | Residue |
A | ALA448 |
A | THR450 |
B | GLY409 |
B | PRO424 |
B | PHE425 |
B | GLY426 |
B | ARG435 |
B | HOH944 |