MolNFT v1 · #174988 · protein + DNA
Structure of the 2:2 cgas-nucleosome complex
7CCR · Histone H3.1: “Structure of the 2:2 cgas-nucleosome complex”. Electron microscopy, 20 pockets (best druggability 0.84). MolNFT v1 #174988 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CCR
- Type
- protein + DNA
- Length
- 2,790 residues
- Chains
- 22
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone H3.1; Histone H4; Histone H2A type 1-B/E; Histone H2B type 1-J; DNA (147-mer)…
- EC
- 2.7.7.86
- UniProt
- P68431, P04908, P06899, Q8N884
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 11 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, L | Histone H3.1 | protein | 95 | 69% helix, 4% strand | P68431 |
| B, M | Histone H4 | protein | 79 | 61% helix, 9% strand | — |
| C, N | Histone H2A type 1-B/E | protein | 102 | 57% helix, 6% strand | P04908 |
| D, O | Histone H2B type 1-J | protein | 92 | 75% helix, 4% strand | P06899 |
| E, P | Histone H3.1 | protein | 98 | 67% helix, 4% strand | P68431 |
| F, Q | Histone H4 | protein | 79 | 63% helix, 8% strand | — |
| G, R | Histone H2A type 1-B/E | protein | 102 | 57% helix, 7% strand | P04908 |
| H, S | Histone H2B type 1-J | protein | 93 | 76% helix, 4% strand | P06899 |
| I, T | DNA (147-mer) | dna | 147 | — | — |
| J, U | DNA (147-mer) | dna | 147 | — | — |
| K, V | Cyclic gmp-AMP synthase (EC 2.7.7.86) | protein | 361 | 43% helix, 13% strand | Q8N884 |
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 | 1009 | 0.84 | 0.86 | 118 | empty |
| 2 | 904 | 0.82 | 0.84 | 74 | empty |
| 3 | 533 | 0.79 | 0.86 | 60 | empty |
| 4 | 863 | 0.77 | 0.80 | 57 | empty |
| 5 | 884 | 0.77 | 0.80 | 56 | empty |
Interfaces
88 interfaces between chains.
- I–J · 6675 Ų buried · 662 hydrogen bonds · nucleic-nucleic
- T–U · 6671 Ų buried · 662 hydrogen bonds · nucleic-nucleic
- N–O · 2581 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 2575 Ų buried · 19 hydrogen bonds · protein-protein
- R–S · 2571 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7CCR · Structure of the 2:2 cGAS-nucleosome complex · the same entry in another collection · chain K against K, 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 P68431
- Every structure of UniProt P04908
- Every structure of UniProt P06899
- Every structure of UniProt Q8N884
- Elsewhere: RCSB PDB 7CCR · PDBe 7CCR · UniProt P68431 · UniProt P04908 · UniProt P06899 · UniProt Q8N884
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