MolNFT v1 · #14277 · protein
Crystal structure of human interleukin-2 Y31C covalently modified at C31 with (1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
1M4A: “Crystal structure of human interleukin-2 Y31C covalently modified at C31 with…”. X-ray diffraction, 1 ligand (MPE), 1 pocket (best druggability 0.34). MolNFT v1 #14277 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1M4A
- Type
- protein
- Length
- 114 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-2
- UniProt
- P60568
- Ligands
- MPE
- Pockets
- 1 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-2 | protein | 114 | 66% helix, 4% strand | P60568 |
Ligands and binding sites
- MPE · (1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid · ligand · chains A
- GOL · Glycerol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.34 | 0.76 | 15 | MPE |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1M4A · 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 0.95
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 1M4A · PDBe 1M4A · UniProt P60568
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