MolNFT v1 · #172538 · protein
Human MUC2 aas 21-1397
7A5O · Mucin-2: “Human MUC2 aas 21-1397”. Electron microscopy, 2 ligands (NAG, CA), 20 pockets (best druggability 0.84). MolNFT v1 #172538 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7A5O
- Type
- protein
- Length
- 7,230 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mucin-2
- UniProt
- Q02817
- Ligands
- NAG, CA
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 5 distinct chains · 15% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Mucin-2 | protein | 1205 | 15% helix, 27% strand | Q02817 |
| B, I | Mucin-2 | protein | 708 | 17% helix, 27% strand | Q02817 |
| C, G | Mucin-2 | protein | 1115 | 16% helix, 27% strand | Q02817 |
| D, H | Mucin-2 | protein | 497 | 13% helix, 26% strand | Q02817 |
| F, J | Mucin-2 | protein | 90 | 4% helix, 29% strand | Q02817 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 24 copies · chains A, C, D, E, G, H, B, I
- CA · Calcium ion · metal · 30 copies · chains A, B, C, D, E, F, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 868 | 0.84 | 0.86 | 116 | empty |
| 2 | 1041 | 0.84 | 0.85 | 111 | empty |
| 3 | 1068 | 0.83 | 0.84 | 118 | empty |
| 4 | 1070 | 0.83 | 0.84 | 115 | empty |
| 5 | 730 | 0.83 | 0.86 | 90 | empty |
Interfaces
33 interfaces between chains.
- E–G · 5782 Ų buried · 47 hydrogen bonds · protein-protein
- A–C · 5772 Ų buried · 47 hydrogen bonds · protein-protein
- H–I · 2564 Ų buried · 20 hydrogen bonds · protein-protein
- B–D · 2558 Ų buried · 20 hydrogen bonds · protein-protein
- A–E · 2436 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 309 disulfide, 18 glycan (disulfide, N-glycosylation).
Compared structures
- 7A5O · Human MUC2 AAs 21-1397 · 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 Q02817
- Elsewhere: RCSB PDB 7A5O · PDBe 7A5O · UniProt Q02817
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