Research workbench
Bovine chymosin in complex with pepstatin a
Analyse Bovine chymosin in complex with pepstatin a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AUC
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymosin; Pepstatin a
- EC
- 3.4.23.4
- UniProt
- P00794
- Ligands
- IVA, NA, CD
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymosin (EC 3.4.23.4) | protein | 323 | 14% helix, 48% strand | P00794 |
| B | Pepstatin a | protein | 5 | 0% helix, 40% strand | — |
Ligands and binding sites
- IVA · Isovaleric acid · ligand · chains A, B
- NA · Sodium ion · metal · chains A
- CD · Cadmium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.40 | 0.76 | 20 | empty |
| 2 | 77 | 0.39 | 0.78 | 18 | EDO |
Interfaces
1 interface between chains.
- A–B · 574 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 modified, 1 covalent (disulfide, nonstandard, covalent ligand).
Compared structures
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 P00794
- Elsewhere: RCSB PDB 4AUC · PDBe 4AUC · UniProt P00794
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