Research workbench
Crystal structure of GP41-derived protein complexed with Fab 8062
Analyse Crystal structure of GP41-derived protein complexed with Fab 8062 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MAC
- Type
- protein
- Length
- 621 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transmembrane glycoprotein; FAB8062
- UniProt
- D0VWW0
- Pockets
- 6 · best druggability 0.47
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transmembrane glycoprotein | protein | 193 | 92% helix, 0% strand | D0VWW0 |
| H | FAB8062 | protein | 218 | 7% helix, 50% strand | — |
| L | FAB8062 | protein | 210 | 6% helix, 50% strand | — |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 208 | 0.47 | 0.74 | 30 | empty |
| 2 | 105 | 0.39 | 0.75 | 19 | empty |
| 3 | 52 | 0.36 | 0.80 | 19 | empty |
| 4 | 60 | 0.34 | 0.78 | 17 | empty |
| 5 | 87 | 0.33 | 0.73 | 18 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1722 Ų buried · 12 hydrogen bonds · protein-protein
- A–H · 879 Ų buried · 5 hydrogen bonds · protein-protein
- A–L · 397 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3MAC · crystal structure of GP41-derived protein complexed with fab 8062 · 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 D0VWW0
- Elsewhere: RCSB PDB 3MAC · PDBe 3MAC · UniProt D0VWW0
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