MolNFT v1 · #78024 · protein
Rhesus macaque MHC class I molecule mamu-B*17-MW9
3RWG · Major histocompatibility complex class I: “Rhesus macaque MHC class I molecule mamu-B*17-MW9”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.67). MolNFT v1 #78024 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3RWG
- Type
- protein
- Length
- 385 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major histocompatibility complex class I; Beta-2-microglobulin; Nef MW9 peptide from…
- UniProt
- Q9GJ77, Q6V7J5, Q5QGG3
- Ligands
- NA
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major histocompatibility complex class I | protein | 276 | 27% helix, 39% strand | Q9GJ77 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | Q6V7J5 |
| C | Nef MW9 peptide from protein nef | protein | 9 | 0% helix, 0% strand | Q5QGG3 |
Ligands and binding sites
- NA · Sodium ion · metal
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- XPE · 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.67 | 0.78 | 51 | empty |
| 2 | 136 | 0.49 | 0.79 | 21 | empty |
| 3 | 54 | 0.35 | 0.78 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1483 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 974 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 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 Q9GJ77
- Every structure of UniProt Q6V7J5
- Every structure of UniProt Q5QGG3
- Elsewhere: RCSB PDB 3RWG · PDBe 3RWG · UniProt Q9GJ77 · UniProt Q6V7J5 · UniProt Q5QGG3
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