MolNFT v1 · #100998 · protein + DNA
Human MHF1 MHF2 DNA complexes
4NE1 · DNA (26-mer): “Human MHF1 MHF2 DNA complexes”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #100998 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4NE1
- Type
- protein + DNA
- Length
- 3,644 residues
- Chains
- 48
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (26-mer); Centromere protein S; Centromere protein X
- UniProt
- Q8N2Z9, A8MT69
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 5 distinct chains · 76% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E, O, s, u | DNA (26-mer) | dna | 26 | — | — |
| F, P, t, v | DNA (26-mer) | dna | 26 | — | — |
| C, G, A, J, R, S, Y, a, c, f, l, m | Centromere protein S | protein | 93 | 78% helix, 3% strand | Q8N2Z9 |
| D, H, B, L, M, N, U, V, W, X, Z, b, d, h, i, j, o, p, q, r | Centromere protein X | protein | 74 | 70% helix, 4% strand | A8MT69 |
| I, K, Q, T, e, g, k, n | Centromere protein S | protein | 105 | 77% helix, 1% strand | Q8N2Z9 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.78 | 0.93 | 32 | empty |
| 2 | 170 | 0.77 | 0.93 | 35 | empty |
| 3 | 117 | 0.73 | 0.93 | 23 | empty |
| 4 | 450 | 0.72 | 0.82 | 53 | empty |
| 5 | 223 | 0.71 | 0.87 | 29 | empty |
Interfaces
128 interfaces between chains.
- C–D · 2505 Ų buried · 22 hydrogen bonds · protein-protein
- R–W · 2462 Ų buried · 16 hydrogen bonds · protein-protein
- I–M · 2461 Ų buried · 18 hydrogen bonds · protein-protein
- Q–V · 2454 Ų buried · 20 hydrogen bonds · protein-protein
- n–o · 2444 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4NE1 · Human MHF1 MHF2 DNA complexes · the same entry in another collection · chain J against J, 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 Q8N2Z9
- Every structure of UniProt A8MT69
- Elsewhere: RCSB PDB 4NE1 · PDBe 4NE1 · UniProt Q8N2Z9 · UniProt A8MT69
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