MolNFT v1 · #14041 · protein
Crystal structure of the complex of subtilisin bpn' with chymotrypsin inhibitor 2 at 1.5 ångström resolution
1LW6: “Crystal structure of the complex of subtilisin bpn' with chymotrypsin inhibitor 2 at 1.5 ångström resolution”. X-ray diffraction, 2 ligands (CA, SO4), 1 pocket (best druggability 0.66). MolNFT v1 #14041 on GenesisL1: 3D structure…
- PDB
- 1LW6
- Type
- protein
- Length
- 344 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin bpn'; Subtilisin-chymotrypsin inhibitor-2A
- EC
- 3.4.21.62
- UniProt
- P00782, P01053
- Ligands
- CA, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Subtilisin bpn' (EC 3.4.21.62) | protein | 281 | 30% helix, 20% strand | P00782 |
| I | Subtilisin-chymotrypsin inhibitor-2A | protein | 63 | 22% helix, 33% strand | P01053 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.66 | 0.84 | 36 | empty |
Interfaces
1 interface between chains.
- E–I · 885 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1LW6 · Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5… · the same entry in another collection · chain E against E, TM-score 1.00
- P01053 · AlphaFold monomer V2.0 prediction for subtilisin-chymotrypsin inhibitor-2A (P01053) · a predicted model of the same protein · chain I against A, TM-score 0.98
- P00782 · AlphaFold monomer V2.0 prediction for subtilisin bpn' (P00782) · a predicted model of the same protein · chain E against A, TM-score 0.98
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
- Every structure of UniProt P01053
- Elsewhere: RCSB PDB 1LW6 · PDBe 1LW6 · UniProt P00782 · UniProt P01053
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