MolNFT v1 · #73329 · protein
Malonyl-CoA ligase ternary product complex with methylmalonyl-CoA and AMP bound
3NYQ: “Malonyl-CoA ligase ternary product complex with methylmalonyl-CoA and AMP bound”. X-ray diffraction, 4 ligands (MCA, AMP, MG), 1 pocket (best druggability 0.79). MolNFT v1 #73329 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3NYQ
- Type
- protein
- Length
- 460 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malonyl-CoA ligase
- UniProt
- Q9L0A2
- Ligands
- MCA, AMP, MG, CL
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malonyl-CoA ligase | protein | 460 | 31% helix, 27% strand | Q9L0A2 |
Ligands and binding sites
- MCA · Methylmalonyl-coenzyme A · ligand · chains A
- AMP · Adenosine monophosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · 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 | 1084 | 0.79 | 0.81 | 102 | MCA, AMP, CL |
Compared structures
- 3NYQ · Malonyl-CoA Ligase Ternary Product Complex with Methylmalonyl-CoA and AMP bound · 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 Q9L0A2
- Elsewhere: RCSB PDB 3NYQ · PDBe 3NYQ · UniProt Q9L0A2
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