MolNFT v1 · #123651 · protein
ASPARTYL/ASPARAGINYL beta-hydroxylase (ASPH)OXYGENASE and tpr domains in complex with manganese, N-oxalylglycine and factor X substrate peptide FRAGMENT(39MER-4SER)
5JQY: “ASPARTYL/ASPARAGINYL beta-hydroxylase (ASPH)OXYGENASE and tpr domains in complex with manganese…”. X-ray diffraction, 2 ligands (OGA, MN), 5 pockets (best druggability 0.73). MolNFT v1 #123651 on GenesisL1: 3D structure, binding…
- PDB
- 5JQY
- Type
- protein
- Length
- 447 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ASPARTYL/ASPARAGINYL beta-hydroxylase; Coagulation factor X
- EC
- 1.14.11.16, 3.4.21.6
- UniProt
- Q12797, P00742
- Ligands
- OGA, MN
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ASPARTYL/ASPARAGINYL beta-hydroxylase (EC 1.14.11.16) | protein | 429 | 52% helix, 16% strand | Q12797 |
| B | Coagulation factor X (EC 3.4.21.6) | protein | 18 | 0% helix, 0% strand | P00742 |
Ligands and binding sites
- OGA · N-oxalylglycine · ligand · chains A
- MN · Manganese (II) ion · metal · chains A, B
- ACT · Acetate ion · additive · chains A
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 | 52 | 0.73 | 0.99 | 18 | MN, OGA |
| 2 | 96 | 0.53 | 0.84 | 25 | empty |
| 3 | 84 | 0.39 | 0.78 | 19 | empty |
| 4 | 93 | 0.34 | 0.74 | 21 | empty |
| 5 | 70 | 0.29 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1218 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5JQY · Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with… · 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 0.99
- P00742 · AlphaFold monomer V2.0 prediction for coagulation factor X (P00742) · a predicted model of the same protein · chain B against A, TM-score 0.20
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 5JQY · PDBe 5JQY · UniProt Q12797 · UniProt P00742
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