MolNFT v1 · #114208 · protein
Hen egg white lysozyme with boron tracedrug utx-97
5B5J · Lysozyme C: “Hen egg white lysozyme with boron tracedrug utx-97”. X-ray diffraction, 2 ligands (UTX, NA), 1 pocket (best druggability 0.29). MolNFT v1 #114208 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5B5J
- Type
- protein
- Length
- 129 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysozyme C
- EC
- 3.2.1.17
- UniProt
- P00698
- Ligands
- UTX, NA
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysozyme C (EC 3.2.1.17) | protein | 129 | 41% helix, 11% strand | P00698 |
Ligands and binding sites
- UTX · 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide · ligand · 2 copies · chains A
- NA · Sodium ion · metal · 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 | 56 | 0.29 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5B5J · Hen egg white lysozyme with boron tracedrug UTX-97 · the same entry in another collection · chain A against A, TM-score 1.00
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 P00698
- Elsewhere: RCSB PDB 5B5J · PDBe 5B5J · UniProt P00698
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