MolNFT v1 · #82957 · protein
Crystal structure of the CMR2DHD-CMR3 subcomplex bound to ATP
3W2W · CRISPR system cmr subunit CMR2: “Crystal structure of the CMR2DHD-CMR3 subcomplex bound to ATP”. X-ray diffraction, 3 ligands (ATP, MG, ZN), 11 pockets (best druggability 0.81). MolNFT v1 #82957 on GenesisL1: 3D structure, binding…
- PDB
- 3W2W
- Type
- protein
- Length
- 926 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRISPR system cmr subunit CMR2; CRISPR system cmr subunit CMR3
- UniProt
- Q8U1S6, Q8U1S7
- Ligands
- ATP, MG, ZN
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRISPR system cmr subunit CMR2 | protein | 618 | 57% helix, 14% strand | Q8U1S6 |
| B | CRISPR system cmr subunit CMR3 | protein | 308 | 14% helix, 41% strand | Q8U1S7 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1022 | 0.81 | 0.82 | 82 | ATP, MG |
| 2 | 526 | 0.70 | 0.79 | 55 | empty |
| 3 | 107 | 0.65 | 0.89 | 22 | empty |
| 4 | 576 | 0.64 | 0.75 | 72 | empty |
| 5 | 300 | 0.60 | 0.78 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 1809 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3W2W · Crystal structure of the Cmr2dHD-Cmr3 subcomplex bound to ATP · the same entry in another collection · chain A against A, TM-score 1.00
- Q8U1S6 · AlphaFold monomer V2.0 prediction for CRISPR system cmr subunit CMR2 (Q8U1S6) · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q8U1S7 · AlphaFold monomer V2.0 prediction for CRISPR system cmr subunit CMR3 (Q8U1S7) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 Q8U1S6
- Every structure of UniProt Q8U1S7
- Elsewhere: RCSB PDB 3W2W · PDBe 3W2W · UniProt Q8U1S6 · UniProt Q8U1S7
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