MolNFT v1 · #190618 · protein
Crystal structure of SSTR2 and L-054,522 complex
7XN9 · Somatostatin receptor type 2,ENDO-1,4-beta-xylanase: “Crystal structure of SSTR2 and L-054,522 complex”. X-ray diffraction, 1 ligand (GI9), 4 pockets (best druggability 0.82). MolNFT v1 #190618 on GenesisL1: 3D structure, binding…
- PDB
- 7XN9
- Type
- protein
- Length
- 476 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Somatostatin receptor type 2,ENDO-1,4-beta-xylanase
- EC
- 3.2.1.8
- UniProt
- P30874, P09850
- Ligands
- GI9
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Somatostatin receptor type 2,ENDO-1,4-beta-xylanase (EC 3.2.1.8) | protein | 476 | 51% helix, 25% strand | P30874, P09850 |
Ligands and binding sites
- GI9 · tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate · ligand · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 787 | 0.82 | 0.85 | 58 | GI9 |
| 2 | 186 | 0.46 | 0.75 | 28 | EPE |
| 3 | 190 | 0.45 | 0.74 | 30 | empty |
| 4 | 71 | 0.38 | 0.78 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7XN9 · Crystal structure of SSTR2 and L-054,522 complex · the same entry in another collection · chain A against A, TM-score 1.00
- P30874 · AlphaFold monomer V2.0 prediction for somatostatin receptor type 2 (P30874) · a predicted model of the same protein · chain A against A, TM-score 0.59
- P09850 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase (P09850) · a predicted model of the same protein · chain A against A, TM-score 0.39
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 P30874
- Every structure of UniProt P09850
- Elsewhere: RCSB PDB 7XN9 · PDBe 7XN9 · UniProt P30874 · UniProt P09850
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