MolNFT v1 · #85090 · protein
The structure of serratia marcescens lip, a membrane bound component of the type VI secretion system.
4A1R: “The structure of serratia marcescens lip, a membrane bound component of the type VI secretion system.”. X-ray diffraction, 1 ligand (NA), 8 pockets (best druggability 0.66). MolNFT v1 #85090 on GenesisL1: 3D structure, binding sites…
- PDB
- 4A1R
- Type
- protein
- Length
- 558 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lip
- Ligands
- NA
- Pockets
- 8 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 15% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lip | protein | 142 | 19% helix, 39% strand | — |
| B | Lip | protein | 140 | 11% helix, 41% strand | — |
| C | Lip | protein | 137 | 15% helix, 41% strand | — |
| D | Lip | protein | 139 | 16% helix, 40% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 728 | 0.66 | 0.75 | 56 | EDO |
| 2 | 68 | 0.45 | 0.82 | 17 | empty |
| 3 | 114 | 0.41 | 0.76 | 21 | empty |
| 4 | 71 | 0.39 | 0.79 | 22 | empty |
| 5 | 51 | 0.36 | 0.80 | 16 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1264 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1154 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 598 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 596 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4A1R · The Structure of Serratia marcescens Lip, a membrane bound component of the Type VI… · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 4A1R · PDBe 4A1R
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