MolNFT v1 · #158589 · protein
Crystal structure of UL144/BTLA complex
6NYP · B- and T-lymphocyte attenuator: “Crystal structure of UL144/BTLA complex”. X-ray diffraction, 3 ligands (NAG, NA, SO4), 7 pockets (best druggability 0.81). MolNFT v1 #158589 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6NYP
- Type
- protein
- Length
- 696 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- B- and T-lymphocyte attenuator; UL144
- UniProt
- Q7Z6A9
- Ligands
- NAG, NA, SO4
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 7 distinct chains · 2% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | B- and T-lymphocyte attenuator | protein | 102 | 3% helix, 57% strand | Q7Z6A9 |
| B | B- and T-lymphocyte attenuator | protein | 101 | 3% helix, 55% strand | Q7Z6A9 |
| C | B- and T-lymphocyte attenuator | protein | 104 | 3% helix, 56% strand | Q7Z6A9 |
| D | B- and T-lymphocyte attenuator | protein | 103 | 6% helix, 56% strand | Q7Z6A9 |
| E | UL144 | protein | 62 | 0% helix, 35% strand | — |
| F, H | UL144 | protein | 77 | 0% helix, 35% strand | — |
| G | UL144 | protein | 70 | 0% helix, 31% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains F, H
- NA · Sodium ion · metal · 2 copies · chains A, F, D, E
- SO4 · Sulfate ion · ion · 5 copies · chains A, C, D, B, G
- GOL · Glycerol · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 608 | 0.81 | 0.86 | 47 | SO4 |
| 2 | 631 | 0.80 | 0.85 | 58 | GOL, SO4 |
| 3 | 245 | 0.76 | 0.90 | 35 | empty |
| 4 | 508 | 0.68 | 0.79 | 49 | empty |
| 5 | 316 | 0.56 | 0.76 | 37 | empty |
Interfaces
15 interfaces between chains.
- A–F · 963 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 959 Ų buried · 17 hydrogen bonds · protein-protein
- C–G · 957 Ų buried · 17 hydrogen bonds · protein-protein
- B–H · 934 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 645 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
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 Q7Z6A9
- Elsewhere: RCSB PDB 6NYP · PDBe 6NYP · UniProt Q7Z6A9
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