MolNFT v1 · #80865 · protein
Crystal structure of P. aeruginosa 3-methylcrotonyl-CoA carboxylase (mcc) 750 kd holoenzyme, free enzyme
3U9T · Methylcrotonyl-CoA carboxylase, alpha-subunit: “Crystal structure of P. aeruginosa 3-methylcrotonyl-CoA carboxylase (mcc) 750 kd holoenzyme, free enzyme”. X-ray diffraction, 16 pockets (best druggability 0.72). MolNFT v1 #80865 on…
- PDB
- 3U9T
- Type
- protein
- Length
- 995 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylcrotonyl-CoA carboxylase, alpha-subunit; Methylcrotonyl-CoA carboxylase…
- EC
- 6.4.1.4
- UniProt
- Q9I299, Q9I297
- Pockets
- 16 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methylcrotonyl-CoA carboxylase, alpha-subunit (EC 6.4.1.4) | protein | 558 | 29% helix, 24% strand | Q9I299 |
| B | Methylcrotonyl-CoA carboxylase, beta-subunit (EC 6.4.1.4) | protein | 437 | 36% helix, 18% strand | Q9I297 |
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.72 | 0.97 | 23 | empty |
| 2 | 503 | 0.66 | 0.78 | 69 | empty |
| 3 | 291 | 0.62 | 0.80 | 36 | empty |
| 4 | 339 | 0.60 | 0.77 | 35 | empty |
| 5 | 115 | 0.50 | 0.81 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1725 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 3U9T · Crystal structure of P. aeruginosa 3-methylcrotonyl-CoA carboxylase (MCC) 750 kD… · the same entry in another collection · chain A against A, 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 Q9I299
- Every structure of UniProt Q9I297
- Elsewhere: RCSB PDB 3U9T · PDBe 3U9T · UniProt Q9I299 · UniProt Q9I297
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