MolNFT v1 · #1197 · protein
Subtilisin bpn' mutant 8324 in citrate
1AU9: “Subtilisin bpn' mutant 8324 in citrate”. X-ray diffraction, 2 ligands (CA, UNX), 1 pocket (best druggability 0.41). MolNFT v1 #1197 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1AU9
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin bpn'
- EC
- 3.4.21.62
- UniProt
- P00782
- Ligands
- CA, UNX
- Pockets
- 1 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Subtilisin bpn' (EC 3.4.21.62) | protein | 275 | 30% helix, 20% strand | P00782 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- UNX · Unknown atom or ion · ion · 2 copies · chains A
- IPA · Isopropyl alcohol · additive · 2 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 108 | 0.41 | 0.76 | 27 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
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 P00782
- Elsewhere: RCSB PDB 1AU9 · PDBe 1AU9 · UniProt P00782
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