MolNFT v1 · #88047 · protein
Crystal structure of hewl in complex with affitin H4
4CJ2 · Lysozyme C: “Crystal structure of hewl in complex with affitin H4”. X-ray diffraction, 2 pockets (best druggability 0.50). MolNFT v1 #88047 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4CJ2
- Type
- protein
- Length
- 381 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysozyme C; Affitin H4
- EC
- 3.2.1.17
- UniProt
- P00698
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysozyme C (EC 3.2.1.17) | protein | 129 | 43% helix, 11% strand | P00698 |
| B | Lysozyme C (EC 3.2.1.17) | protein | 128 | 41% helix, 11% strand | P00698 |
| C, D | Affitin H4 | protein | 62 | 21% helix, 56% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, D, B, C
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 | 76 | 0.50 | 0.84 | 23 | GOL |
| 2 | 91 | 0.49 | 0.82 | 24 | GOL |
Interfaces
3 interfaces between chains.
- A–D · 880 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 845 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 614 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4CJ2 · Crystal structure of HEWL in complex with affitin H4 · 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 4CJ2 · PDBe 4CJ2 · UniProt P00698
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