MolNFT v1 · #52428 · protein
Crystal structure of the mutant H8P from the recombinant variable domain 6JAL2
2W0L · V1-22 protein: “Crystal structure of the mutant H8P from the recombinant variable domain 6JAL2”. X-ray diffraction, 5 pockets (best druggability 0.60). MolNFT v1 #52428 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2W0L
- Type
- protein
- Length
- 444 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- V1-22 protein
- UniProt
- Q5NV88
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | V1-22 protein | protein | 111 | 5% helix, 47% strand | Q5NV88 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.60 | 0.74 | 62 | empty |
| 2 | 131 | 0.42 | 0.75 | 19 | empty |
| 3 | 121 | 0.41 | 0.76 | 21 | empty |
| 4 | 54 | 0.31 | 0.77 | 14 | empty |
| 5 | 60 | 0.28 | 0.74 | 14 | empty |
Interfaces
5 interfaces between chains.
- A–C · 642 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 593 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 338 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 13 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 12 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2W0L · Crystal structure of the mutant H8P from the recombinant variable domain 6JAL2 · 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 Q5NV88
- Elsewhere: RCSB PDB 2W0L · PDBe 2W0L · UniProt Q5NV88
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