MolNFT v1 · #95539 · protein
Crystal structure of al-cpi
4IT7: “Crystal structure of al-cpi”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #95539 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4IT7
- Type
- protein
- Length
- 428 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cpi
- UniProt
- E9N3T6
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cpi | protein | 107 | 16% helix, 49% strand | E9N3T6 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 829 | 0.69 | 0.75 | 90 | empty |
| 2 | 106 | 0.42 | 0.77 | 20 | empty |
| 3 | 99 | 0.32 | 0.72 | 18 | empty |
Interfaces
4 interfaces between chains.
- A–B · 516 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 164 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 60 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 55 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4IT7 · Crystal structure of Al-CPI · 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 E9N3T6
- Elsewhere: RCSB PDB 4IT7 · PDBe 4IT7 · UniProt E9N3T6
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