MolNFT v1 · #174297 · protein
BT4096 a gut microbial diltiazem-metabolizing enzyme
7BR2 · Lipolytic enzyme, G-D-S-L family: “BT4096 a gut microbial diltiazem-metabolizing enzyme”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #174297 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BR2
- Type
- protein
- Length
- 1,777 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipolytic enzyme, G-D-S-L family
- UniProt
- Q8A0C5
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Lipolytic enzyme, G-D-S-L family | protein | 446 | 47% helix, 19% strand | Q8A0C5 |
| B | Lipolytic enzyme, G-D-S-L family | protein | 443 | 47% helix, 18% strand | Q8A0C5 |
| C | Lipolytic enzyme, G-D-S-L family | protein | 442 | 47% helix, 19% strand | Q8A0C5 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 596 | 0.77 | 0.83 | 61 | empty |
| 2 | 656 | 0.74 | 0.81 | 74 | empty |
| 3 | 424 | 0.74 | 0.84 | 41 | empty |
| 4 | 228 | 0.64 | 0.82 | 27 | empty |
| 5 | 226 | 0.58 | 0.79 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1528 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1489 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 882 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 298 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 289 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7BR2 · BT4096 a gut microbial diltiazem-metabolizing enzyme · 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 Q8A0C5
- Elsewhere: RCSB PDB 7BR2 · PDBe 7BR2 · UniProt Q8A0C5
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