MolNFT v1 · #122696 · protein
Crystal structure of mouse MORC3 ATPase-cw cassette in complex with amppnp and unmodified H3 peptide
5IX2 · Morc family cw-type zinc finger protein 3: “Crystal structure of mouse MORC3 ATPase-cw cassette in complex with amppnp and unmodified H3 peptide”. X-ray diffraction, 3 ligands (ANP, ZN, MG), 10 pockets (best druggability 0.78).…
- PDB
- 5IX2
- Type
- protein
- Length
- 862 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Morc family cw-type zinc finger protein 3; Peptide from histone H3.1
- UniProt
- F7BJB9, P68433
- Ligands
- ANP, ZN, MG
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Morc family cw-type zinc finger protein 3 | protein | 420 | 25% helix, 29% strand | F7BJB9 |
| B | Morc family cw-type zinc finger protein 3 | protein | 422 | 26% helix, 28% strand | F7BJB9 |
| P, Q | Peptide from histone H3.1 | protein | 10 | 0% helix, 40% strand | P68433 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.78 | 0.91 | 37 | ANP, MG |
| 2 | 1096 | 0.78 | 0.80 | 83 | empty |
| 3 | 264 | 0.76 | 0.89 | 45 | ANP, MG |
| 4 | 368 | 0.74 | 0.85 | 43 | empty |
| 5 | 389 | 0.71 | 0.82 | 47 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2448 Ų buried · 24 hydrogen bonds · protein-protein
- A–P · 791 Ų buried · 17 hydrogen bonds · protein-protein
- B–Q · 751 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5IX2 · Crystal structure of mouse Morc3 ATPase-CW cassette in complex with AMPPNP and unmodified… · the same entry in another collection · chain A against A, TM-score 1.00
- F7BJB9 · AlphaFold monomer V2.0 prediction for morc family cw-type zinc finger protein 3 (F7BJB9) · a predicted model of the same protein · chain B against A, TM-score 0.87
- P68433 · AlphaFold monomer V2.0 prediction for histone H3.1 (P68433) · a predicted model of the same protein · chain P against A, TM-score 0.38
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 F7BJB9
- Every structure of UniProt P68433
- Elsewhere: RCSB PDB 5IX2 · PDBe 5IX2 · UniProt F7BJB9 · UniProt P68433
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