MolNFT v1 · #165514 · protein
Fab part of M6903 in complex with human TIM3
6TXZ · Hepatitis a virus cellular receptor 2: “Fab part of M6903 in complex with human TIM3”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #165514 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TXZ
- Type
- protein
- Length
- 2,134 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hepatitis a virus cellular receptor 2; Fab H; Fab L
- UniProt
- Q8TDQ0
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 9 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hepatitis a virus cellular receptor 2 | protein | 109 | 6% helix, 43% strand | Q8TDQ0 |
| H | Fab H | protein | 219 | 4% helix, 53% strand | — |
| I | Fab H | protein | 216 | 4% helix, 51% strand | — |
| J | Fab H | protein | 210 | 4% helix, 52% strand | — |
| K | Fab H | protein | 213 | 4% helix, 53% strand | — |
| L | Fab L | protein | 209 | 9% helix, 49% strand | — |
| M | Fab L | protein | 210 | 9% helix, 49% strand | — |
| N | Fab L | protein | 210 | 7% helix, 49% strand | — |
| O | Fab L | protein | 211 | 9% helix, 48% strand | — |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.81 | 0.82 | 106 | empty |
| 2 | 794 | 0.77 | 0.81 | 97 | empty |
| 3 | 710 | 0.70 | 0.77 | 79 | empty |
| 4 | 583 | 0.61 | 0.74 | 63 | empty |
| 5 | 257 | 0.58 | 0.78 | 42 | empty |
Interfaces
21 interfaces between chains.
- H–L · 1710 Ų buried · 15 hydrogen bonds · protein-protein
- I–M · 1667 Ų buried · 13 hydrogen bonds · protein-protein
- K–O · 1658 Ų buried · 9 hydrogen bonds · protein-protein
- J–N · 1584 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 838 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 disulfide (disulfide).
Compared structures
- 6TXZ · Fab part of M6903 in complex with human TIM3 · the same entry in another collection · chain O against O, 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 Q8TDQ0
- Elsewhere: RCSB PDB 6TXZ · PDBe 6TXZ · UniProt Q8TDQ0
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