MolNFT v1 · #122383 · protein
A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit
5ING · Putative carboxyl transferase: “A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide…”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #122383 on GenesisL1…
- PDB
- 5ING
- Type
- protein
- Length
- 2,960 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative carboxyl transferase
- UniProt
- A0ACI9
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative carboxyl transferase | protein | 496 | 42% helix, 18% strand | A0ACI9 |
| B | Putative carboxyl transferase | protein | 497 | 42% helix, 19% strand | A0ACI9 |
| C | Putative carboxyl transferase | protein | 503 | 41% helix, 18% strand | A0ACI9 |
| D | Putative carboxyl transferase | protein | 488 | 42% helix, 19% strand | A0ACI9 |
| E | Putative carboxyl transferase | protein | 493 | 41% helix, 19% strand | A0ACI9 |
| F | Putative carboxyl transferase | protein | 483 | 41% helix, 19% strand | A0ACI9 |
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 | 1161 | 0.81 | 0.83 | 138 | empty |
| 2 | 1035 | 0.80 | 0.81 | 104 | empty |
| 3 | 1069 | 0.79 | 0.81 | 99 | empty |
| 4 | 75 | 0.76 | 0.99 | 25 | empty |
| 5 | 80 | 0.76 | 0.98 | 23 | empty |
Interfaces
12 interfaces between chains.
- A–D · 4625 Ų buried · 61 hydrogen bonds · protein-protein
- B–F · 4541 Ų buried · 64 hydrogen bonds · protein-protein
- C–E · 4426 Ų buried · 55 hydrogen bonds · protein-protein
- A–B · 1386 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1319 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 77 modified (engineered).
Compared structures
- 5ING · A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual… · 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 A0ACI9
- Elsewhere: RCSB PDB 5ING · PDBe 5ING · UniProt A0ACI9
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