MolNFT v1 · #165170 · protein
Human MUC2 aas 21-1397
6TM2 · Mucin-2: “Human MUC2 aas 21-1397”. Electron microscopy, 2 ligands (NAG, CA), 20 pockets (best druggability 0.84). MolNFT v1 #165170 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TM2
- Type
- protein
- Length
- 2,410 residues
- Chains
- 6
- 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 · 3 distinct chains · 15% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mucin-2 | protein | 708 | 17% helix, 27% strand | Q02817 |
| C, D | Mucin-2 | protein | 407 | 15% helix, 26% strand | Q02817 |
| E, F | Mucin-2 | protein | 90 | 4% helix, 29% strand | Q02817 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains C, D, A, B
- CA · Calcium ion · metal · 10 copies · chains A, B, C, D, E, F
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 | 1035 | 0.84 | 0.85 | 111 | empty |
| 2 | 1081 | 0.83 | 0.84 | 121 | empty |
| 3 | 1170 | 0.82 | 0.84 | 130 | empty |
| 4 | 1030 | 0.82 | 0.83 | 91 | empty |
| 5 | 954 | 0.81 | 0.83 | 88 | empty |
Interfaces
15 interfaces between chains.
- B–D · 2558 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 2558 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1349 Ų buried · 10 hydrogen bonds · protein-protein
- B–F · 542 Ų buried · 0 hydrogen bonds · protein-protein
- A–E · 542 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 103 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 6TM2 · 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 6TM2 · PDBe 6TM2 · UniProt Q02817
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