MolNFT v1 · #46890 · protein
Crystal structure analysis 0F the TNF-a coverting enzyme (tace) in complexed with aryl-sulfonamide
2OI0 · TNF- a converting enzyme (tace): “Crystal structure analysis 0F the TNF-a coverting enzyme (tace) in complexed with aryl-sulfonamide”. X-ray diffraction, 2 ligands (283, ZN), 1 pocket (best druggability 0.64). MolNFT v1 #46890 on…
- PDB
- 2OI0
- Type
- protein
- Length
- 266 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TNF- a converting enzyme (tace)
- EC
- 3.4.24.86
- UniProt
- P78536
- Ligands
- 283, ZN
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TNF- a converting enzyme (tace) (EC 3.4.24.86) | protein | 266 | 33% helix, 17% strand | P78536 |
Ligands and binding sites
- 283 · (3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol · ligand · chains A
- ZN · Zinc ion · metal · 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 | 260 | 0.64 | 0.81 | 40 | ZN, 283 |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2OI0 · Crystal structure analysis 0f the TNF-a Coverting Enzyme (TACE) in complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P78536 · AlphaFold monomer V2.0 prediction for disintegrin and metalloproteinase domain-containing… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P78536
- Elsewhere: RCSB PDB 2OI0 · PDBe 2OI0 · UniProt P78536
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