MolNFT v1 · #188114 · protein
Crystal structure of aspartate-semialdehyde dehydrogenase from acinetobacter baumannii in complex with NADP
7TCM: “Crystal structure of aspartate-semialdehyde dehydrogenase from acinetobacter baumannii in complex with NADP”. X-ray diffraction, 1 ligand (NAP), 4 pockets (best druggability 0.60). MolNFT v1 #188114 on GenesisL1: 3D structure…
- PDB
- 7TCM
- Type
- protein
- Length
- 745 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate-semialdehyde dehydrogenase
- EC
- 1.2.1.11
- UniProt
- V5VGT0
- Ligands
- NAP
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 373 | 42% helix, 21% strand | V5VGT0 |
| B | Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) | protein | 372 | 42% helix, 21% strand | V5VGT0 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 343 | 0.60 | 0.78 | 47 | NAP |
| 2 | 302 | 0.58 | 0.77 | 41 | NAP |
| 3 | 63 | 0.34 | 0.77 | 15 | empty |
| 4 | 82 | 0.32 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 3807 Ų buried · 57 hydrogen bonds · protein-protein
Compared structures
- 7TCM · Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii in… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt V5VGT0
- Elsewhere: RCSB PDB 7TCM · PDBe 7TCM · UniProt V5VGT0
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