MolNFT v1 · #153985 · protein
Crystal structure of the spry domain of SPSB2 in complex with CR9, a cyclic peptide inhibitor of spsb-inos interaction
6JWN · Spry domain-containing socs box protein 2: “Crystal structure of the spry domain of SPSB2 in complex with CR9, a cyclic peptide inhibitor of spsb-inos…”. X-ray diffraction, 2 pockets (best druggability 0.66). MolNFT v1 #153985 on…
- PDB
- 6JWN
- Type
- protein
- Length
- 404 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spry domain-containing socs box protein 2; Nitric oxide synthase, inducible
- EC
- 1.14.13.39
- UniProt
- Q99619, P35228
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Spry domain-containing socs box protein 2 | protein | 193 | 9% helix, 41% strand | Q99619 |
| B, D | Nitric oxide synthase, inducible (EC 1.14.13.39) | protein | 9 | 0% helix, 0% strand | P35228 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.66 | 0.81 | 54 | empty |
| 2 | 259 | 0.60 | 0.80 | 35 | empty |
Interfaces
5 interfaces between chains.
- C–D · 356 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 355 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 348 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 304 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 81 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6JWN · Crystal structure of the SPRY domain of SPSB2 in complex with cR9, a cyclic peptide… · the same entry in another collection · chain C against C, TM-score 1.00
- Q99619 · AlphaFold monomer V2.0 prediction for spry domain-containing socs box protein 2 (Q99619) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P35228 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, inducible (P35228) · a predicted model of the same protein · chain B against A, TM-score 0.43
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 Q99619
- Every structure of UniProt P35228
- Elsewhere: RCSB PDB 6JWN · PDBe 6JWN · UniProt Q99619 · UniProt P35228
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