MolNFT v1 · #183107 · protein
Structure of T. atroviride fdc variant tafdcv in complex with prfmn crotonic acid adduct
7NF2 · Ferulic acid decarboxylase 1: “Structure of T. atroviride fdc variant tafdcv in complex with prfmn crotonic acid adduct”. X-ray diffraction, 3 ligands (JRH, K, MN), 8 pockets (best druggability 0.85). MolNFT v1 #183107 on GenesisL1…
- PDB
- 7NF2
- Type
- protein
- Length
- 993 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferulic acid decarboxylase 1
- EC
- 4.1.1.102
- UniProt
- G9NLP8
- Ligands
- JRH, K, MN
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferulic acid decarboxylase 1 (EC 4.1.1.102) | protein | 497 | 33% helix, 25% strand | G9NLP8 |
| B | Ferulic acid decarboxylase 1 (EC 4.1.1.102) | protein | 496 | 31% helix, 24% strand | G9NLP8 |
Ligands and binding sites
- JRH · prFMN cofactor and crotonic acid adduct · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 4 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.85 | 0.96 | 40 | JRH, K |
| 2 | 271 | 0.84 | 0.96 | 44 | JRH, K |
| 3 | 165 | 0.64 | 0.85 | 29 | empty |
| 4 | 500 | 0.61 | 0.75 | 52 | empty |
| 5 | 142 | 0.60 | 0.84 | 38 | ACT |
Interfaces
1 interface between chains.
- A–B · 4056 Ų buried · 65 hydrogen bonds · protein-protein
Compared structures
- 7NF2 · Structure of T. atroviride Fdc variant TaFdcV in complex with prFMN crotonic acid adduct · 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 G9NLP8
- Elsewhere: RCSB PDB 7NF2 · PDBe 7NF2 · UniProt G9NLP8
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