MolNFT v1 · #58277 · protein
Catalytic fragment of human fibroblast collagenase complexed with cgs- 27023A, NMR, minimized average structure
3AYK · Protein (collagenase): “Catalytic fragment of human fibroblast collagenase complexed with cgs- 27023A, NMR, minimized average…”. Solution nmr, 3 ligands (CGS, ZN, CA), 2 pockets (best druggability 0.55). MolNFT v1 #58277 on…
- PDB
- 3AYK
- Type
- protein
- Length
- 157 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (collagenase)
- EC
- 3.4.24.7
- UniProt
- P03956
- Ligands
- CGS, ZN, CA
- Pockets
- 2 · best druggability 0.55
Structure
solution nmr · 1 distinct chain · 25% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (collagenase) (EC 3.4.24.7) | protein | 157 | 25% helix, 16% strand | P03956 |
Ligands and binding sites
- CGS · N-hydroxy-2(R)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide hydrochloride · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · chains A
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 | 146 | 0.55 | 0.82 | 24 | ZN, CGS |
| 2 | 82 | 0.35 | 0.75 | 16 | empty |
Compared structures
- 3AYK · Catalytic fragment of human fibroblast collagenase complexed with cgs-27023A, NMR… · the same entry in another collection · chain A against A, TM-score 1.00
- P03956 · AlphaFold monomer V2.0 prediction for interstitial collagenase (P03956) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P03956
- Elsewhere: RCSB PDB 3AYK · PDBe 3AYK · UniProt P03956
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