Research workbench
Crystal structure of the tace-N-timp-3 complex
Analyse Crystal structure of the tace-N-timp-3 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CKI
- Type
- protein
- Length
- 377 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adam 17; Metalloproteinase inhibitor 3
- EC
- 3.4.24.86
- UniProt
- P78536, P35625
- Ligands
- ZN, NA
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adam 17 (EC 3.4.24.86) | protein | 256 | 33% helix, 19% strand | P78536 |
| B | Metalloproteinase inhibitor 3 | protein | 121 | 15% helix, 32% strand | P35625 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 850 | 0.75 | 0.79 | 87 | empty |
| 2 | 80 | 0.55 | 0.86 | 18 | empty |
| 3 | 52 | 0.50 | 0.87 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1132 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3CKI · Crystal structure of the TACE-N-TIMP-3 complex · 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 0.98
- P35625 · AlphaFold monomer V2.0 prediction for metalloproteinase inhibitor 3 (P35625) · a predicted model of the same protein · chain B against A, TM-score 0.91
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
- Every structure of UniProt P35625
- Elsewhere: RCSB PDB 3CKI · PDBe 3CKI · UniProt P78536 · UniProt P35625
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