MolNFT v1 · #17350 · protein
Crystal structure of RV4/RV7 complex
1OQS · Phospholipase A2 rv-7: “Crystal structure of RV4/RV7 complex”. X-ray diffraction, 14 pockets (best druggability 0.84). MolNFT v1 #17350 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1OQS
- Type
- protein
- Length
- 976 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipase A2 rv-7; Phospholipase A2 rv-4
- EC
- 3.1.1.4
- UniProt
- P31100, Q02471
- Pockets
- 14 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Phospholipase A2 rv-7 (EC 3.1.1.4) | protein | 122 | 48% helix, 8% strand | P31100 |
| B, D, F, H | Phospholipase A2 rv-4 (EC 3.1.1.4) | protein | 122 | 46% helix, 11% strand | Q02471 |
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 393 | 0.84 | 0.93 | 51 | empty |
| 2 | 358 | 0.84 | 0.93 | 46 | empty |
| 3 | 381 | 0.84 | 0.92 | 48 | empty |
| 4 | 365 | 0.84 | 0.93 | 45 | empty |
| 5 | 508 | 0.70 | 0.80 | 63 | empty |
Interfaces
12 interfaces between chains.
- A–B · 1448 Ų buried · 19 hydrogen bonds · protein-protein
- G–H · 1438 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1414 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1413 Ų buried · 18 hydrogen bonds · protein-protein
- A–F · 530 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 56 disulfide (disulfide).
Compared structures
- 1OQS · Crystal Structure of RV4/RV7 Complex · the same entry in another collection · chain H against H, TM-score 1.00
- Q02471 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 rv-4 (Q02471) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P31100 · AlphaFold monomer V2.0 prediction for acidic phospholipase A2 rv-7 (P31100) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P31100
- Every structure of UniProt Q02471
- Elsewhere: RCSB PDB 1OQS · PDBe 1OQS · UniProt P31100 · UniProt Q02471
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