MolNFT v1 · #101325 · protein
Crystal structure of apo manganese ABC transporter mntc from staphylococcus aureus bound to an antagonistic Fab fragment
4NNP · Lipoprotein: “Crystal structure of apo manganese ABC transporter mntc from staphylococcus aureus bound to an antagonistic…”. X-ray diffraction, 19 pockets (best druggability 0.73). MolNFT v1 #101325 on GenesisL1: 3D structure…
- PDB
- 4NNP
- Type
- protein
- Length
- 1,427 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipoprotein; Heavy chain of antagonistic Fab fragment; Light chain of antagonistic Fab…
- UniProt
- Q99VY4
- Pockets
- 19 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipoprotein | protein | 273 | 49% helix, 14% strand | Q99VY4 |
| B | Lipoprotein | protein | 274 | 50% helix, 11% strand | Q99VY4 |
| H, X | Heavy chain of antagonistic Fab fragment | protein | 227 | 3% helix, 50% strand | — |
| L, Y | Light chain of antagonistic Fab fragment | protein | 213 | 6% helix, 51% strand | — |
Pockets
19 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.73 | 0.76 | 80 | empty |
| 2 | 623 | 0.62 | 0.73 | 65 | empty |
| 3 | 380 | 0.61 | 0.77 | 55 | empty |
| 4 | 483 | 0.59 | 0.74 | 57 | empty |
| 5 | 115 | 0.49 | 0.80 | 25 | empty |
Interfaces
8 interfaces between chains.
- H–L · 2107 Ų buried · 20 hydrogen bonds · protein-protein
- X–Y · 2084 Ų buried · 21 hydrogen bonds · protein-protein
- B–X · 634 Ų buried · 8 hydrogen bonds · protein-protein
- A–H · 625 Ų buried · 7 hydrogen bonds · protein-protein
- A–L · 329 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4NNP · Crystal Structure of Apo Manganese ABC transporter MntC from Staphylococcus aureus bound… · the same entry in another collection · chain Y against Y, 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 Q99VY4
- Elsewhere: RCSB PDB 4NNP · PDBe 4NNP · UniProt Q99VY4
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