4IYM
Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD, target 011934
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| A | 0006210 | biological_process | thymine catabolic process |
| A | 0006574 | biological_process | L-valine catabolic process |
| 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 | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| B | 0006210 | biological_process | thymine catabolic process |
| B | 0006574 | biological_process | L-valine catabolic process |
| 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 |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| C | 0006210 | biological_process | thymine catabolic process |
| C | 0006574 | biological_process | L-valine catabolic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| D | 0006210 | biological_process | thymine catabolic process |
| D | 0006574 | biological_process | L-valine catabolic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| E | 0006210 | biological_process | thymine catabolic process |
| E | 0006574 | biological_process | L-valine catabolic process |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| F | 0006210 | biological_process | thymine catabolic process |
| F | 0006574 | biological_process | L-valine catabolic process |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| G | 0006210 | biological_process | thymine catabolic process |
| G | 0006574 | biological_process | L-valine catabolic process |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| H | 0006210 | biological_process | thymine catabolic process |
| H | 0006574 | biological_process | L-valine catabolic process |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| I | 0000166 | molecular_function | nucleotide binding |
| I | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| I | 0006210 | biological_process | thymine catabolic process |
| I | 0006574 | biological_process | L-valine catabolic process |
| I | 0016491 | molecular_function | oxidoreductase activity |
| I | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| J | 0000166 | molecular_function | nucleotide binding |
| J | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| J | 0006210 | biological_process | thymine catabolic process |
| J | 0006574 | biological_process | L-valine catabolic process |
| J | 0016491 | molecular_function | oxidoreductase activity |
| J | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| K | 0000166 | molecular_function | nucleotide binding |
| K | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| K | 0006210 | biological_process | thymine catabolic process |
| K | 0006574 | biological_process | L-valine catabolic process |
| K | 0016491 | molecular_function | oxidoreductase activity |
| K | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| L | 0000166 | molecular_function | nucleotide binding |
| L | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| L | 0006210 | biological_process | thymine catabolic process |
| L | 0006574 | biological_process | L-valine catabolic process |
| L | 0016491 | molecular_function | oxidoreductase activity |
| L | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| M | 0000166 | molecular_function | nucleotide binding |
| M | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| M | 0006210 | biological_process | thymine catabolic process |
| M | 0006574 | biological_process | L-valine catabolic process |
| M | 0016491 | molecular_function | oxidoreductase activity |
| M | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| N | 0000166 | molecular_function | nucleotide binding |
| N | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| N | 0006210 | biological_process | thymine catabolic process |
| N | 0006574 | biological_process | L-valine catabolic process |
| N | 0016491 | molecular_function | oxidoreductase activity |
| N | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| O | 0000166 | molecular_function | nucleotide binding |
| O | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| O | 0006210 | biological_process | thymine catabolic process |
| O | 0006574 | biological_process | L-valine catabolic process |
| O | 0016491 | molecular_function | oxidoreductase activity |
| O | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| P | 0000166 | molecular_function | nucleotide binding |
| P | 0004491 | molecular_function | methylmalonate-semialdehyde dehydrogenase (acylating, NAD) activity |
| P | 0006210 | biological_process | thymine catabolic process |
| P | 0006574 | biological_process | L-valine catabolic process |
| P | 0016491 | molecular_function | oxidoreductase activity |
| P | 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 NAD A 501 |
| Chain | Residue |
| A | ILE144 |
| A | GLU174 |
| A | LYS204 |
| A | VAL207 |
| A | PHE221 |
| A | VAL222 |
| A | GLY223 |
| A | SER224 |
| A | ILE227 |
| A | GLY246 |
| A | GLY247 |
| A | THR145 |
| A | CYS279 |
| A | GLU381 |
| A | PHE383 |
| A | HOH793 |
| A | HOH848 |
| A | HOH861 |
| A | HOH888 |
| A | HOH911 |
| A | PRO146 |
| A | PHE147 |
| A | ASN148 |
| A | PHE149 |
| A | MSE152 |
| A | ILE153 |
| A | LYS171 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG A 502 |
| Chain | Residue |
| A | HOH792 |
| A | HOH918 |
| A | HOH919 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 503 |
| Chain | Residue |
| A | ASP318 |
| A | HOH803 |
| A | HOH837 |
| A | HOH921 |
| A | HOH922 |
| site_id | AC4 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD B 500 |
| Chain | Residue |
| B | ILE144 |
| B | THR145 |
| B | PRO146 |
| B | PHE147 |
| B | ASN148 |
| B | PHE149 |
| B | ILE153 |
| B | LYS171 |
| B | GLU174 |
| B | LYS204 |
| B | PHE221 |
| B | VAL222 |
| B | GLY223 |
| B | SER224 |
| B | ILE227 |
| B | GLY246 |
| B | GLY247 |
| B | ARG278 |
| B | CYS279 |
| B | GLU381 |
| B | PHE383 |
| B | HOH613 |
| B | HOH669 |
| B | HOH839 |
| B | HOH840 |
| B | HOH842 |
| B | HOH886 |
| site_id | AC5 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD C 500 |
| Chain | Residue |
| C | ILE144 |
| C | THR145 |
| C | PRO146 |
| C | PHE147 |
| C | ASN148 |
| C | PHE149 |
| C | LYS171 |
| C | GLU174 |
| C | LYS204 |
| C | VAL207 |
| C | PHE221 |
| C | VAL222 |
| C | GLY223 |
| C | SER224 |
| C | ILE227 |
| C | GLY246 |
| C | GLY247 |
| C | CYS279 |
| C | GLU381 |
| C | PHE383 |
| C | HOH610 |
| C | HOH656 |
| C | HOH676 |
| C | HOH725 |
| C | HOH816 |
| C | HOH874 |
| site_id | AC6 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD D 500 |
| Chain | Residue |
| D | VAL222 |
| D | GLY223 |
| D | SER224 |
| D | ILE227 |
| D | GLY246 |
| D | GLY247 |
| D | ARG278 |
| D | CYS279 |
| D | GLU381 |
| D | PHE383 |
| D | HOH663 |
| D | HOH730 |
| D | HOH774 |
| D | HOH804 |
| D | ILE144 |
| D | THR145 |
| D | PRO146 |
| D | PHE147 |
| D | ASN148 |
| D | PHE149 |
| D | LYS171 |
| D | GLU174 |
| D | LYS204 |
| D | VAL207 |
| D | PHE221 |
| site_id | AC7 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NAD E 500 |
| Chain | Residue |
| E | ILE144 |
| E | THR145 |
| E | PRO146 |
| E | PHE147 |
| E | ASN148 |
| E | PHE149 |
| E | ILE153 |
| E | LYS171 |
| E | GLU174 |
| E | LYS204 |
| E | VAL207 |
| E | PHE221 |
| E | VAL222 |
| E | GLY223 |
| E | SER224 |
| E | ILE227 |
| E | GLY246 |
| E | GLY247 |
| E | ARG278 |
| E | CYS279 |
| E | GLU381 |
| E | PHE383 |
| E | HOH684 |
| E | HOH687 |
| E | HOH755 |
| E | HOH833 |
| E | HOH867 |
| E | HOH872 |
| E | HOH934 |
| site_id | AC8 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD F 501 |
| Chain | Residue |
| F | ILE144 |
| F | THR145 |
| F | PRO146 |
| F | PHE147 |
| F | ASN148 |
| F | PHE149 |
| F | MSE152 |
| F | ILE153 |
| F | LYS171 |
| F | GLU174 |
| F | LYS204 |
| F | VAL207 |
| F | PHE221 |
| F | VAL222 |
| F | GLY223 |
| F | SER224 |
| F | ILE227 |
| F | GLY246 |
| F | GLY247 |
| F | CYS279 |
| F | GLU381 |
| F | PHE383 |
| F | HOH736 |
| F | HOH802 |
| F | HOH848 |
| F | HOH849 |
| F | HOH861 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG F 502 |
| Chain | Residue |
| F | HOH792 |
| F | HOH894 |
| site_id | BC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NAD G 501 |
| Chain | Residue |
| G | ILE144 |
| G | THR145 |
| G | PRO146 |
| G | PHE147 |
| G | ASN148 |
| G | PHE149 |
| G | LYS171 |
| G | GLU174 |
| G | LYS204 |
| G | VAL207 |
| G | PHE221 |
| G | VAL222 |
| G | GLY223 |
| G | SER224 |
| G | ILE227 |
| G | GLY246 |
| G | GLY247 |
| G | CYS279 |
| G | GLU381 |
| G | PHE383 |
| G | HOH713 |
| G | HOH811 |
| G | HOH812 |
| G | HOH829 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG G 502 |
| Chain | Residue |
| C | HOH797 |
| G | HOH869 |
| site_id | BC3 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD H 500 |
| Chain | Residue |
| H | ILE144 |
| H | THR145 |
| H | PRO146 |
| H | PHE147 |
| H | ASN148 |
| H | PHE149 |
| H | ILE153 |
| H | LYS171 |
| H | GLU174 |
| H | LYS204 |
| H | VAL207 |
| H | PHE221 |
| H | VAL222 |
| H | GLY223 |
| H | SER224 |
| H | ILE227 |
| H | GLY246 |
| H | GLY247 |
| H | ARG278 |
| H | CYS279 |
| H | GLU381 |
| H | PHE383 |
| H | HOH703 |
| H | HOH753 |
| H | HOH803 |
| H | HOH809 |
| H | HOH828 |
| site_id | BC4 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD I 501 |
| Chain | Residue |
| I | ILE144 |
| I | THR145 |
| I | PRO146 |
| I | PHE147 |
| I | ASN148 |
| I | PHE149 |
| I | ILE153 |
| I | LYS171 |
| I | GLU174 |
| I | LYS204 |
| I | VAL207 |
| I | PHE221 |
| I | VAL222 |
| I | GLY223 |
| I | SER224 |
| I | ILE227 |
| I | GLY246 |
| I | GLY247 |
| I | ARG278 |
| I | CYS279 |
| I | GLU381 |
| I | PHE383 |
| I | HOH815 |
| I | HOH833 |
| I | HOH864 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG I 502 |
| Chain | Residue |
| I | HOH750 |
| I | HOH866 |
| I | HOH867 |
| site_id | BC6 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD J 500 |
| Chain | Residue |
| J | ILE144 |
| J | THR145 |
| J | PRO146 |
| J | PHE147 |
| J | ASN148 |
| J | PHE149 |
| J | LYS171 |
| J | GLU174 |
| J | LYS204 |
| J | VAL207 |
| J | PHE221 |
| J | VAL222 |
| J | GLY223 |
| J | SER224 |
| J | ILE227 |
| J | GLY246 |
| J | GLY247 |
| J | CYS279 |
| J | GLU381 |
| J | PHE383 |
| J | HOH638 |
| J | HOH642 |
| J | HOH822 |
| J | HOH855 |
| J | HOH869 |
| site_id | BC7 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD K 500 |
| Chain | Residue |
| K | ILE144 |
| K | THR145 |
| K | PRO146 |
| K | PHE147 |
| K | ASN148 |
| K | PHE149 |
| K | LYS171 |
| K | GLU174 |
| K | LYS204 |
| K | VAL207 |
| K | PHE221 |
| K | VAL222 |
| K | GLY223 |
| K | SER224 |
| K | ILE227 |
| K | GLY246 |
| K | GLY247 |
| K | CYS279 |
| K | GLU381 |
| K | PHE383 |
| K | HOH698 |
| K | HOH701 |
| K | HOH745 |
| K | HOH748 |
| K | HOH763 |
| K | HOH906 |
| K | HOH919 |
| site_id | BC8 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD L 500 |
| Chain | Residue |
| L | ILE144 |
| L | THR145 |
| L | PRO146 |
| L | PHE147 |
| L | ASN148 |
| L | PHE149 |
| L | MSE152 |
| L | LYS171 |
| L | GLU174 |
| L | LYS204 |
| L | VAL207 |
| L | PHE221 |
| L | VAL222 |
| L | GLY223 |
| L | SER224 |
| L | ILE227 |
| L | GLY246 |
| L | GLY247 |
| L | ARG278 |
| L | CYS279 |
| L | GLU381 |
| L | PHE383 |
| L | HOH657 |
| L | HOH678 |
| L | HOH802 |
| site_id | BC9 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD M 500 |
| Chain | Residue |
| M | ILE144 |
| M | THR145 |
| M | PRO146 |
| M | PHE147 |
| M | ASN148 |
| M | PHE149 |
| M | MSE152 |
| M | LYS171 |
| M | GLU174 |
| M | LYS204 |
| M | VAL207 |
| M | PHE221 |
| M | VAL222 |
| M | GLY223 |
| M | SER224 |
| M | ILE227 |
| M | GLY246 |
| M | GLY247 |
| M | ARG278 |
| M | CYS279 |
| M | GLU381 |
| M | PHE383 |
| M | HOH679 |
| M | HOH694 |
| M | HOH733 |
| M | HOH764 |
| site_id | CC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD N 500 |
| Chain | Residue |
| N | ILE144 |
| N | THR145 |
| N | PRO146 |
| N | PHE147 |
| N | ASN148 |
| N | PHE149 |
| N | ILE153 |
| N | LYS171 |
| N | GLU174 |
| N | LYS204 |
| N | VAL207 |
| N | PHE221 |
| N | VAL222 |
| N | GLY223 |
| N | SER224 |
| N | ILE227 |
| N | GLY246 |
| N | GLY247 |
| N | CYS279 |
| N | GLU381 |
| N | PHE383 |
| N | HOH754 |
| N | HOH785 |
| N | HOH812 |
| N | HOH816 |
| site_id | CC2 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD O 501 |
| Chain | Residue |
| O | ILE144 |
| O | THR145 |
| O | PRO146 |
| O | PHE147 |
| O | ASN148 |
| O | PHE149 |
| O | LYS171 |
| O | GLU174 |
| O | LYS204 |
| O | VAL207 |
| O | PHE221 |
| O | VAL222 |
| O | GLY223 |
| O | SER224 |
| O | ILE227 |
| O | GLY246 |
| O | GLY247 |
| O | ARG278 |
| O | CYS279 |
| O | GLU381 |
| O | PHE383 |
| O | HOH605 |
| O | HOH618 |
| O | HOH640 |
| O | HOH653 |
| O | HOH664 |
| O | HOH851 |
| site_id | CC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG O 502 |
| Chain | Residue |
| K | HOH813 |
| K | HOH917 |
| site_id | CC4 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD P 500 |
| Chain | Residue |
| P | ILE144 |
| P | THR145 |
| P | PRO146 |
| P | PHE147 |
| P | ASN148 |
| P | PHE149 |
| P | LYS171 |
| P | GLU174 |
| P | LYS204 |
| P | VAL207 |
| P | PHE221 |
| P | VAL222 |
| P | GLY223 |
| P | SER224 |
| P | ILE227 |
| P | GLY246 |
| P | GLY247 |
| P | ARG278 |
| P | CYS279 |
| P | GLU381 |
| P | PHE383 |
| P | HOH654 |
| P | HOH779 |
| P | HOH815 |
| P | HOH821 |
| P | HOH866 |
Functional Information from PROSITE/UniProt
| site_id | PS00070 |
| Number of Residues | 12 |
| Details | ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YgSAGERCMAIS |
| Chain | Residue | Details |
| A | TYR272-SER283 |
