MolNFT v1 · #139510 · protein
Crystal structure analysis of CIN85-SH3B in complex with ARAP1-P2
5XHZ · SH3 domain-containing kinase-binding protein 1: “Crystal structure analysis of CIN85-SH3B in complex with ARAP1-P2”. X-ray diffraction, 1 pocket (best druggability 0.27). MolNFT v1 #139510 on GenesisL1: 3D structure, binding sites…
- PDB
- 5XHZ
- Type
- protein
- Length
- 141 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SH3 domain-containing kinase-binding protein 1; Arf-gap with rho-gap domain, ank repeat…
- UniProt
- Q8R550, Q4LDD4
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SH3 domain-containing kinase-binding protein 1 | protein | 60 | 5% helix, 48% strand | Q8R550 |
| B | SH3 domain-containing kinase-binding protein 1 | protein | 59 | 5% helix, 49% strand | Q8R550 |
| C, D | Arf-gap with rho-gap domain, ank repeat and pH domain- containing protein 1 | protein | 11 | 0% helix, 0% strand | Q4LDD4 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.27 | 0.73 | 14 | empty |
Interfaces
6 interfaces between chains.
- A–C · 671 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 662 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 320 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 134 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 100 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5XHZ · Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2 · the same entry in another collection · chain D against D, TM-score 1.00
- Q8R550 · AlphaFold monomer V2.0 prediction for SH3 domain-containing kinase- binding protein 1… · a predicted model of the same protein · chain B against A, TM-score 0.86
- Q4LDD4 · AlphaFold monomer V2.0 prediction for arf-gap with rho-gap domain, ank repeat and pH… · a predicted model of the same protein · chain C against A, TM-score 0.46
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 Q8R550
- Every structure of UniProt Q4LDD4
- Elsewhere: RCSB PDB 5XHZ · PDBe 5XHZ · UniProt Q8R550 · UniProt Q4LDD4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.