3TZ6
Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With inhibitor SMCS (CYS) And Phosphate From Mycobacterium tuberculosis H37Rv
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004073 | molecular_function | aspartate-semialdehyde dehydrogenase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006520 | biological_process | amino acid metabolic process |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009085 | biological_process | lysine biosynthetic process |
| A | 0009086 | biological_process | methionine biosynthetic process |
| A | 0009088 | biological_process | threonine biosynthetic process |
| A | 0009089 | biological_process | lysine biosynthetic process via diaminopimelate |
| A | 0009097 | biological_process | isoleucine biosynthetic process |
| A | 0009274 | cellular_component | peptidoglycan-based cell wall |
| 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 |
| A | 0019877 | biological_process | diaminopimelate biosynthetic process |
| A | 0046983 | molecular_function | protein dimerization activity |
| A | 0050661 | molecular_function | NADP binding |
| A | 0051287 | molecular_function | NAD binding |
| A | 0071266 | biological_process | 'de novo' L-methionine biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CYS A 401 |
| Chain | Residue |
| A | CYS130 |
| A | GLN157 |
| A | GLY161 |
| A | GLU224 |
| A | ARG249 |
| A | HIS256 |
| A | SO4405 |
| A | HOH845 |
| A | HOH974 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 402 |
| Chain | Residue |
| A | LYS100 |
| A | GLN226 |
| A | ARG229 |
| A | PHE230 |
| A | ARG233 |
| A | HOH935 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE GOL A 403 |
| Chain | Residue |
| A | GLY188 |
| A | GLY189 |
| A | LEU191 |
| A | PHE193 |
| A | PRO202 |
| A | LEU292 |
| A | HOH724 |
| A | HOH771 |
| A | HOH790 |
| A | HOH834 |
| A | HOH884 |
| A | HOH1022 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 404 |
| Chain | Residue |
| A | SER109 |
| A | GLN336 |
| A | GLU339 |
| A | LEU340 |
| A | HOH956 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 405 |
| Chain | Residue |
| A | ARG99 |
| A | ASN129 |
| A | CYS130 |
| A | LYS227 |
| A | CYS401 |
| A | HOH1051 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SO4 A 406 |
| Chain | Residue |
| A | GLY12 |
| A | GLN13 |
| A | VAL14 |
| A | GLY163 |
| A | LEU164 |
| A | HOH814 |
| A | HOH846 |
| A | HOH864 |
| A | HOH954 |
| A | HOH1047 |
| A | HOH1048 |
| A | HOH1068 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 407 |
| Chain | Residue |
| A | ARG233 |
| A | HOH860 |
| A | HOH935 |
| A | HOH1012 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 408 |
| Chain | Residue |
| A | HIS118 |
| A | ARG120 |
| A | HOH998 |
| A | HOH1031 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 409 |
| Chain | Residue |
| A | GLU271 |
| A | ARG274 |
| A | HOH984 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 410 |
| Chain | Residue |
| A | GLY42 |
| A | GLU53 |
| A | GLY73 |
| A | SER74 |
| A | HOH872 |
| A | HOH958 |
| A | HOH959 |
Functional Information from PROSITE/UniProt
| site_id | PS01103 |
| Number of Residues | 15 |
| Details | ASD Aspartate-semialdehyde dehydrogenase signature. VSgtCvRVpvftGHS |
| Chain | Residue | Details |
| A | VAL243-SER257 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Acyl-thioester intermediate => ECO:0000305|PubMed:22683789 |
| Chain | Residue | Details |
| A | CYS130 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS256 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | THR11 | |
| A | ARG39 | |
| A | ARG99 | |
| A | GLN157 | |
| A | SER160 | |
| A | LYS227 | |
| A | ARG249 | |
| A | ASN325 |
