MolNFT v1 · #18815 · protein
Crystal structure of aclacinomycin methylesterase (rdmc) with bound product analogue, 10-decarboxymethylaclacinomycin T (dcmat)
1Q0R: “Crystal structure of aclacinomycin methylesterase (rdmc) with bound product analogue…”. X-ray diffraction, 2 ligands (AKT, SO4), 1 pocket (best druggability 0.82). MolNFT v1 #18815 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1Q0R
- Type
- protein
- Length
- 297 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aclacinomycin methylesterase
- UniProt
- Q54528
- Ligands
- AKT, SO4
- Pockets
- 1 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aclacinomycin methylesterase | protein | 297 | 43% helix, 16% strand | Q54528 |
Ligands and binding sites
- AKT · 10-decarboxymethylaclacinomycin T (dcmat) · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 541 | 0.82 | 0.88 | 72 | AKT, SO4, 1PE |
Compared structures
- 1Q0R · Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue… · the same entry in another collection · chain A against A, TM-score 1.00
- Q54528 · AlphaFold monomer V2.0 prediction for aclacinomycin methylesterase rdmc (Q54528) · a predicted model of the same protein · 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 Q54528
- Elsewhere: RCSB PDB 1Q0R · PDBe 1Q0R · UniProt Q54528
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