MolNFT v1 · #35636 · protein
Crystal structure of the complex of humanized KR127 Fab and PRES1 peptide epitope
2EH8 · Humanized KR127 Fab, light chain: “Crystal structure of the complex of humanized KR127 Fab and PRES1 peptide epitope”. X-ray diffraction, 5 pockets (best druggability 0.57). MolNFT v1 #35636 on GenesisL1: 3D structure, binding sites…
- PDB
- 2EH8
- Type
- protein
- Length
- 446 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Humanized KR127 Fab, light chain; Humanized KR127 Fab, heavy chain; PRES1/PRES2/SURFACE…
- UniProt
- Q2EID8
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Humanized KR127 Fab, light chain | protein | 218 | 6% helix, 50% strand | — |
| H | Humanized KR127 Fab, heavy chain | protein | 218 | 7% helix, 50% strand | — |
| P | PRES1/PRES2/SURFACE protein | protein | 10 | 30% helix, 0% strand | Q2EID8 |
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 | 434 | 0.57 | 0.74 | 53 | empty |
| 2 | 114 | 0.39 | 0.75 | 22 | empty |
| 3 | 87 | 0.37 | 0.76 | 18 | empty |
| 4 | 76 | 0.31 | 0.74 | 14 | empty |
| 5 | 55 | 0.29 | 0.75 | 17 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1821 Ų buried · 13 hydrogen bonds · protein-protein
- L–P · 509 Ų buried · 8 hydrogen bonds · protein-protein
- H–P · 311 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2EH8 · Crystal structure of the complex of humanized KR127 fab and PRES1 peptide epitope · the same entry in another collection · chain L against L, 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 Q2EID8
- Elsewhere: RCSB PDB 2EH8 · PDBe 2EH8 · UniProt Q2EID8
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