MolNFT v1 · #36242 · protein
Solution NMR structure of ectodomain of SIV GP41, models 21-30 of an ensemble of 40 simulated annealing structures
2EZR: “Solution NMR structure of ectodomain of SIV GP41, models 21-30 of an ensemble of 40 simulated annealing…”. Solution nmr, 2 pockets (best druggability 0.72). MolNFT v1 #36242 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2EZR
- Type
- protein
- Length
- 369 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GP41
- UniProt
- Q88033
- Pockets
- 2 · best druggability 0.72
Structure
solution nmr · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | GP41 | protein | 123 | 75% helix, 0% strand | Q88033 |
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 | 242 | 0.72 | 0.87 | 42 | empty |
| 2 | 94 | 0.47 | 0.81 | 22 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2105 Ų buried · 28 hydrogen bonds · protein-protein
- A–C · 2093 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 2080 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 2EZR · Solution NMR structure of ectodomain of SIV GP41, models 21-30 of an ensemble of 40… · the same entry in another collection · chain B against B, 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 Q88033
- Elsewhere: RCSB PDB 2EZR · PDBe 2EZR · UniProt Q88033
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