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Crystal structure of mouse MORC3 ATPase-cw cassette in complex with amppnp and H3K4ME3 peptide
Analyse Crystal structure of mouse MORC3 ATPase-cw cassette in complex with amppnp and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5IX1
- Type
- protein
- Length
- 852 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 0.81
Structure
x-ray diffraction · 4 distinct chains · 23% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Morc family cw-type zinc finger protein 3 | protein | 414 | 24% helix, 29% strand | F7BJB9 |
| B | Morc family cw-type zinc finger protein 3 | protein | 419 | 24% helix, 28% strand | F7BJB9 |
| P | Peptide from histone H3.1 | protein | 9 | 0% helix, 44% strand | P68433 |
| 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 | 960 | 0.81 | 0.83 | 77 | empty |
| 2 | 237 | 0.79 | 0.92 | 37 | ANP, MG |
| 3 | 282 | 0.75 | 0.88 | 43 | ANP, MG |
| 4 | 367 | 0.73 | 0.84 | 45 | empty |
| 5 | 327 | 0.72 | 0.85 | 41 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2447 Ų buried · 24 hydrogen bonds · protein-protein
- B–Q · 803 Ų buried · 12 hydrogen bonds · protein-protein
- A–P · 783 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
Compared structures
- 5IX1 · Crystal structure of mouse Morc3 ATPase-CW cassette in complex with AMPPNP and H3K4me3… · the same entry in another collection · chain Q against Q, 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 0.88
- P68433 · AlphaFold monomer V2.0 prediction for histone H3.1 (P68433) · a predicted model of the same protein · chain P against A, TM-score 0.45
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 5IX1 · PDBe 5IX1 · UniProt F7BJB9 · UniProt P68433
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