MolNFT v1 · #15663 · protein
Crystal structure of human interleukin-2 Y31C covalently modified at C31 with 3-mercapto-1-(1,3,4,9-tetrahydro-B-carbolin-2-yl)-propan-1- one
1NBP: “Crystal structure of human interleukin-2 Y31C covalently modified at C31 with…”. X-ray diffraction, 2 ligands (MHC, SO4), 1 pocket (best druggability 0.56). MolNFT v1 #15663 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1NBP
- Type
- protein
- Length
- 121 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-2
- UniProt
- P60568
- Ligands
- MHC, SO4
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-2 | protein | 121 | 65% helix, 3% strand | P60568 |
Ligands and binding sites
- MHC · 3-mercapto-1-(1,3,4,9-tetrahydro-B-carbolin-2-yl)-propan-1-one · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 115 | 0.56 | 0.83 | 19 | MHC |
Modifications
Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 1NBP · Crystal Structure Of Human Interleukin-2 Y31C Covalently Modified At C31 With… · the same entry in another collection · chain A against A, TM-score 1.00
- P60568 · AlphaFold monomer V2.0 prediction for interleukin-2 (P60568) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P60568
- Elsewhere: RCSB PDB 1NBP · PDBe 1NBP · UniProt P60568
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