MolNFT v1 · #42131 · protein
Paramagnetic shifts in solid-state NMR of proteins to elicit structural information
2K9C · Macrophage metalloelastase: “Paramagnetic shifts in solid-state NMR of proteins to elicit structural information”. Solution nmr, 1 ligand (CO), 3 pockets (best druggability 0.64). MolNFT v1 #42131 on GenesisL1: 3D structure, binding…
- PDB
- 2K9C
- Type
- protein
- Length
- 152 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage metalloelastase
- EC
- 3.4.24.65
- UniProt
- P39900
- Ligands
- CO
- Pockets
- 3 · best druggability 0.64
Structure
solution nmr · 1 distinct chain · 24% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage metalloelastase (EC 3.4.24.65) | protein | 152 | 24% helix, 4% strand | P39900 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.64 | 0.84 | 33 | empty |
| 2 | 104 | 0.61 | 0.87 | 21 | CO |
| 3 | 89 | 0.42 | 0.78 | 17 | empty |
Compared structures
- 2K9C · Paramagnetic shifts in solid-state NMR of Proteins to elicit structural information · 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 P39900
- Elsewhere: RCSB PDB 2K9C · PDBe 2K9C · UniProt P39900
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