MolNFT v1 · #101200 · protein
Crystal structure of HELL'S gate globin IV
4NK2 · Hemoglobin-like protein: “Crystal structure of HELL'S gate globin IV”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.80). MolNFT v1 #101200 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4NK2
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin-like protein
- UniProt
- B3DVC3
- Ligands
- HEM
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hemoglobin-like protein | protein | 164 | 55% helix, 5% strand | B3DVC3 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.80 | 0.88 | 32 | HEM |
| 2 | 401 | 0.79 | 0.87 | 31 | HEM |
| 3 | 94 | 0.39 | 0.76 | 16 | empty |
| 4 | 87 | 0.36 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1597 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 4NK2 · Crystal structure of Hell's gate globin IV · 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 B3DVC3
- Elsewhere: RCSB PDB 4NK2 · PDBe 4NK2 · UniProt B3DVC3
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