Target Information
| Target General Information | Top | |||||
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| Target ID |
T59729
(Former ID: TTDR00862)
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| Target Name |
Bacterial Aspartate-semialdehyde dehydrogenase (Bact asd2)
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| Synonyms |
asd2; L-Aspartate-beta-semialdehyde dehydrogenase; ASADH; ASA dehydrogenase
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| Gene Name |
Bact asd2
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
Catalyzes the NADPH-dependent formation of L-aspartate- semialdehyde (L-ASA) by the reductive dephosphorylation of L- aspartyl-4-phosphate.
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| BioChemical Class |
Aldehyde/oxo donor oxidoreductase
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| UniProt ID | ||||||
| Sequence |
MSQQFNVAIFGATGAVGETMLEVLQEREFPVDELFLLASERSEGKTYRFNGKTVRVQNVE
EFDWSQVHIALFSAGGELSAKWAPIAAEAGVVVIDNTSHFRYDYDIPLVVPEVNPEAIAE FRNRNIIANPNCSTIQMLVALKPIYDAVGIERINVTTYQSVSGAGKAGIDELAGQTAKLL NGYPAETNTFSQQIAFNCIPQIDQFMDNGYTKEEMKMVWETQKIFNDPSIMVNPTCVRVP VFYGHAEAVHVETRAPIDAEQVMDMLEQTDGIELFRGADFPTQVRDAGGKDHVLVGRVRN DISHHSGINLWVVADNVRKGAATNAVQIAELLVRDYF Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: (4S)-4-{[(2S)-2-Amino-3-oxopropyl]sulfanyl}-L-homoserine | Ligand Info | |||||
| Structure Description | crystal structure of aspartate semialdehyde dehydrogenase II complexed with ASA from vibrio cholerae | PDB:2R00 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [3] |
| PDB Sequence |
SQQFNVAIFG
12 ATGAVGETML22 EVLQEREFPV32 DELFLLASER42 SEGKTYRFNG52 KTVRVQNVEE 62 FDWSQVHIAL72 FSAGGELSAK82 WAPIAAEAGV92 VVIDNTSHFR102 YDYDIPLVVP 112 EVNPEAIAEF122 RNRNIIANPN132 STIQMLVALK143 PIYDAVGIER153 INVTTYQSVS 163 GAGKAGIDEL173 AGQTAKLLNG183 YPAETNTFSQ193 QIAFNCIPQI203 DQFMDNGYTK 213 EEMKMVWETQ223 KIFNDPSIMV233 NPTCVRVPVF243 YGHAEAVHVE253 TRAPIDAEQV 263 MDMLEQTDGI273 ELFRGADFPT283 QVRDAGGKDH293 VLVGRVRNDI303 SHHSGINLWV 313 VADNVRKGAA323 TNAVQIAELL333 VRDYF
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| Ligand Name: Diglycolic acid | Ligand Info | |||||
| Structure Description | crystal structure of aspartate semialdehyde dehydrogenase II complexed with ASA from vibrio cholerae | PDB:2R00 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [3] |
| PDB Sequence |
SQQFNVAIFG
12 ATGAVGETML22 EVLQEREFPV32 DELFLLASER42 SEGKTYRFNG52 KTVRVQNVEE 62 FDWSQVHIAL72 FSAGGELSAK82 WAPIAAEAGV92 VVIDNTSHFR102 YDYDIPLVVP 112 EVNPEAIAEF122 RNRNIIANPN132 STIQMLVALK143 PIYDAVGIER153 INVTTYQSVS 163 GAGKAGIDEL173 AGQTAKLLNG183 YPAETNTFSQ193 QIAFNCIPQI203 DQFMDNGYTK 213 EEMKMVWETQ223 KIFNDPSIMV233 NPTCVRVPVF243 YGHAEAVHVE253 TRAPIDAEQV 263 MDMLEQTDGI273 ELFRGADFPT283 QVRDAGGKDH293 VLVGRVRNDI303 SHHSGINLWV 313 VADNVRKGAA323 TNAVQIAELL333 VRDYF
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| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Similarity Proteins
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There is no similarity protein (E value < 0.005) for this target
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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Target-Related Models and Studies | Top | |||||
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| Target Validation | ||||||
| References | Top | |||||
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| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 2 | Petrosamine B, an inhibitor of the Helicobacter pylori enzyme aspartyl semialdehyde dehydrogenase from the Australian sponge Oceanapia sp. J Nat Prod. 2005 May;68(5):804-6. | |||||
| REF 3 | The structure of a redundant enzyme: a second isoform of aspartate beta-semialdehyde dehydrogenase in Vibrio cholerae. Acta Crystallogr D Biol Crystallogr. 2008 Mar;64(Pt 3):321-30. | |||||
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