MolNFT v1 · #168587 · protein
Pretcrbeta-pmhc complex crystal structure
6WL2 · H-2 class I histocompatibility antigen, K-B alpha chain: “Pretcrbeta-pmhc complex crystal structure”. X-ray diffraction, 19 pockets (best druggability 0.76). MolNFT v1 #168587 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6WL2
- Type
- protein
- Length
- 1,265 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H-2 class I histocompatibility antigen, K-B alpha chain; Arg-gly-tyr-val-tyr-gln-gly-leu…
- UniProt
- P01901
- Pockets
- 19 · best druggability 0.76
Structure
x-ray diffraction · 7 distinct chains · 20% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H-2 class I histocompatibility antigen, K-B alpha chain | protein | 178 | 39% helix, 31% strand | P01901 |
| B, E, H | Arg-gly-tyr-val-tyr-gln-gly-leu | protein | 8 | 0% helix, 0% strand | — |
| C | N15 pretcr beta | protein | 237 | 8% helix, 51% strand | — |
| D | H-2 class I histocompatibility antigen, K-B alpha chain | protein | 176 | 36% helix, 34% strand | P01901 |
| F | N15 pretcr beta | protein | 237 | 7% helix, 52% strand | — |
| G | H-2 class I histocompatibility antigen, K-B alpha chain | protein | 177 | 40% helix, 32% strand | P01901 |
| I | N15 pretcr beta | protein | 236 | 6% helix, 48% strand | — |
Pockets
19 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.76 | 0.80 | 95 | empty |
| 2 | 248 | 0.62 | 0.82 | 42 | empty |
| 3 | 221 | 0.53 | 0.77 | 32 | empty |
| 4 | 114 | 0.51 | 0.81 | 23 | empty |
| 5 | 197 | 0.51 | 0.77 | 29 | empty |
Interfaces
16 interfaces between chains.
- A–B · 909 Ų buried · 23 hydrogen bonds · protein-protein
- D–E · 896 Ų buried · 15 hydrogen bonds · protein-protein
- G–H · 878 Ų buried · 20 hydrogen bonds · protein-protein
- D–I · 778 Ų buried · 14 hydrogen bonds · protein-protein
- F–G · 697 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
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 P01901
- Elsewhere: RCSB PDB 6WL2 · PDBe 6WL2 · UniProt P01901
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