MolNFT v1 · #24493 · protein
P1.2 serosubtype antigen derived from N. meningitidis pora in complex with Fab fragment
1UWX · Protein G-prime: “P1.2 serosubtype antigen derived from N. meningitidis pora in complex with Fab fragment”. X-ray diffraction, 11 pockets (best druggability 0.58). MolNFT v1 #24493 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1UWX
- Type
- protein
- Length
- 1,001 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein G-prime; Antibody; Class 1 outer membrane protein variable region 2
- UniProt
- Q54181, Q51220
- Pockets
- 11 · best druggability 0.58
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein G-prime | protein | 57 | 30% helix, 47% strand | Q54181 |
| B | Protein G-prime | protein | 60 | 23% helix, 45% strand | Q54181 |
| H, M | Antibody | protein | 218 | 8% helix, 52% strand | — |
| K, L | Antibody | protein | 211 | 6% helix, 50% strand | — |
| P, Q | Class 1 outer membrane protein variable region 2 | protein | 13 | 0% helix, 15% strand | Q51220 |
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.58 | 0.74 | 57 | empty |
| 2 | 425 | 0.56 | 0.74 | 58 | empty |
| 3 | 194 | 0.46 | 0.75 | 33 | empty |
| 4 | 190 | 0.46 | 0.75 | 32 | empty |
| 5 | 77 | 0.39 | 0.78 | 22 | empty |
Interfaces
12 interfaces between chains.
- H–L · 1805 Ų buried · 11 hydrogen bonds · protein-protein
- K–M · 1794 Ų buried · 12 hydrogen bonds · protein-protein
- B–M · 584 Ų buried · 15 hydrogen bonds · protein-protein
- H–P · 538 Ų buried · 5 hydrogen bonds · protein-protein
- A–H · 532 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1UWX · P1.2 serosubtype antigen derived from N. meningitidis PorA in complex with Fab fragment · 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 Q54181
- Every structure of UniProt Q51220
- Elsewhere: RCSB PDB 1UWX · PDBe 1UWX · UniProt Q54181 · UniProt Q51220
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