MolNFT v1 · #38888 · protein
Structure of human mip-3A chemokine
2HCI · Small inducible cytokine A20: “Structure of human mip-3A chemokine”. X-ray diffraction, 2 ligands (SO3, SO4), 4 pockets (best druggability 0.53). MolNFT v1 #38888 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HCI
- Type
- protein
- Length
- 133 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Small inducible cytokine A20
- UniProt
- P78556
- Ligands
- SO3, SO4
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Small inducible cytokine A20 | protein | 68 | 31% helix, 24% strand | P78556 |
| B | Small inducible cytokine A20 | protein | 65 | 28% helix, 37% strand | P78556 |
Ligands and binding sites
- SO3 · Sulfite ion · ion · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
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 | 278 | 0.53 | 0.75 | 35 | SO3 |
| 2 | 54 | 0.45 | 0.84 | 16 | SO3 |
| 3 | 120 | 0.45 | 0.78 | 21 | SO3 |
| 4 | 64 | 0.35 | 0.78 | 17 | PEG |
Interfaces
1 interface between chains.
- A–B · 986 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
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 P78556
- Elsewhere: RCSB PDB 2HCI · PDBe 2HCI · UniProt P78556
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