MolNFT v1 · #144176 · protein
Rsv G peptide bound to Fab CB002.5
6BLI · CB002.5 Fab heavy chain: “Rsv G peptide bound to Fab CB002.5”. X-ray diffraction, 18 pockets (best druggability 0.61). MolNFT v1 #144176 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BLI
- Type
- protein
- Length
- 1,855 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CB002.5 Fab heavy chain; CB002.5 Fab light chain; Major surface glycoprotein G
- UniProt
- P27025
- Pockets
- 18 · best druggability 0.61
Structure
x-ray diffraction · 6 distinct chains · 11% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, G, J | CB002.5 Fab heavy chain | protein | 221 | 7% helix, 52% strand | — |
| B, E, H, K | CB002.5 Fab light chain | protein | 214 | 6% helix, 51% strand | — |
| C | Major surface glycoprotein G | protein | 30 | 30% helix, 17% strand | P27025 |
| F | Major surface glycoprotein G | protein | 28 | 32% helix, 18% strand | P27025 |
| I | Major surface glycoprotein G | protein | 28 | 32% helix, 18% strand | P27025 |
| L | Major surface glycoprotein G | protein | 29 | 24% helix, 17% strand | P27025 |
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 560 | 0.61 | 0.74 | 52 | empty |
| 2 | 461 | 0.59 | 0.74 | 59 | empty |
| 3 | 475 | 0.59 | 0.74 | 50 | empty |
| 4 | 324 | 0.57 | 0.76 | 54 | empty |
| 5 | 396 | 0.55 | 0.73 | 44 | empty |
Interfaces
22 interfaces between chains.
- G–H · 1959 Ų buried · 22 hydrogen bonds · protein-protein
- D–E · 1914 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1865 Ų buried · 24 hydrogen bonds · protein-protein
- J–K · 1865 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 836 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 disulfide, 4 modified (disulfide, cyclization).
Compared structures
- 6BLI · RSV G peptide bound to Fab CB002.5 · 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 P27025
- Elsewhere: RCSB PDB 6BLI · PDBe 6BLI · UniProt P27025
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