MolNFT v1 · #177070 · protein
ASPARTYL/ASPARAGINYL beta-hydroxylase (asph) H725A in complex with factor X peptide fragment (39MER-4SER)
7E6J: “ASPARTYL/ASPARAGINYL beta-hydroxylase (asph) H725A in complex with factor X peptide fragment (39MER-4SER)”. X-ray diffraction, 5 pockets (best druggability 0.75). MolNFT v1 #177070 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7E6J
- Type
- protein
- Length
- 447 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ASPARTYL/ASPARAGINYL beta-hydroxylase; Peptide from factor X light chain
- EC
- 1.14.11.16
- UniProt
- Q12797, P00742
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ASPARTYL/ASPARAGINYL beta-hydroxylase (EC 1.14.11.16) | protein | 429 | 53% helix, 16% strand | Q12797 |
| B | Peptide from factor X light chain | protein | 18 | 0% helix, 0% strand | P00742 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.75 | 0.99 | 18 | PPI |
| 2 | 107 | 0.56 | 0.85 | 29 | empty |
| 3 | 107 | 0.44 | 0.78 | 26 | empty |
| 4 | 108 | 0.38 | 0.74 | 28 | empty |
| 5 | 85 | 0.34 | 0.75 | 20 | GOL |
Interfaces
1 interface between chains.
- A–B · 1248 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7E6J · Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide… · the same entry in another collection · chain A against A, TM-score 1.00
- Q12797 · AlphaFold monomer V2.0 prediction for ASPARTYL/ASPARAGINYL beta- hydroxylase (Q12797) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P00742 · AlphaFold monomer V2.0 prediction for coagulation factor X (P00742) · a predicted model of the same protein · chain B against A, TM-score 0.21
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 Q12797
- Every structure of UniProt P00742
- Elsewhere: RCSB PDB 7E6J · PDBe 7E6J · UniProt Q12797 · UniProt P00742
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