MolNFT v1 · #176813 · protein
Crystal structure of the chemically synthesized MK2H_DELTAMILPYS peptide homodimer in complex with malate
7DYC · MK2H_DELTAMILPYS protein: “Crystal structure of the chemically synthesized MK2H_DELTAMILPYS peptide homodimer in complex with malate”. X-ray diffraction, 2 ligands (MLT, LMR), 2 pockets (best druggability 0.62). MolNFT v1 #176813 on…
- PDB
- 7DYC
- Type
- protein
- Length
- 168 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MK2H_DELTAMILPYS protein
- Ligands
- MLT, LMR
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | MK2H_DELTAMILPYS protein | protein | 42 | 24% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.62 | 0.76 | 43 | empty |
| 2 | 210 | 0.48 | 0.75 | 33 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2231 Ų buried · 50 hydrogen bonds · protein-protein
- A–B · 212 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 137 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 27 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7DYC · Crystal structure of the chemically synthesized mk2h_deltaMILPYS peptide homodimer 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
- Elsewhere: RCSB PDB 7DYC · PDBe 7DYC
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