MolNFT v1 · #1381 · protein
Fiddler crab collagenase complexed to ecotin
1AZZ: “Fiddler crab collagenase complexed to ecotin”. X-ray diffraction, 4 pockets (best druggability 0.73). MolNFT v1 #1381 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1AZZ
- Type
- protein
- Length
- 727 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Collagenase; Ecotin
- EC
- 3.4.21.32
- UniProt
- P00771, P23827
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Collagenase (EC 3.4.21.32) | protein | 226 | 10% helix, 35% strand | P00771 |
| C | Ecotin | protein | 137 | 2% helix, 52% strand | P23827 |
| D | Ecotin | protein | 138 | 2% helix, 54% strand | P23827 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 748 | 0.73 | 0.79 | 63 | empty |
| 2 | 724 | 0.72 | 0.78 | 68 | empty |
| 3 | 187 | 0.47 | 0.76 | 39 | empty |
| 4 | 206 | 0.46 | 0.74 | 36 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1566 Ų buried · 26 hydrogen bonds · protein-protein
- B–D · 992 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 971 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 542 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 515 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1AZZ · Fiddler crab collagenase complexed to ecotin · the same entry in another collection · chain A against A, TM-score 1.00
- P00771 · AlphaFold monomer V2.0 prediction for brachyurin (P00771) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P23827 · AlphaFold monomer V2.0 prediction for ecotin (P23827) · a predicted model of the same protein · chain C against A, TM-score 0.92
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 P00771
- Every structure of UniProt P23827
- Elsewhere: RCSB PDB 1AZZ · PDBe 1AZZ · UniProt P00771 · UniProt P23827
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