MolNFT v1 · #5858 · protein
Structure of the monoclinic form of the M-CRESOL/INSULIN R6 hexamer
1EV6: “Structure of the monoclinic form of the M-CRESOL/INSULIN R6 hexamer”. X-ray diffraction, 4 ligands (CRS, ZN, NA), 4 pockets (best druggability 0.88). MolNFT v1 #5858 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1EV6
- Type
- protein
- Length
- 301 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin
- UniProt
- P01308
- Ligands
- CRS, ZN, NA, CL
- Pockets
- 4 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 69% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Insulin | protein | 21 | 62% helix, 5% strand | P01308 |
| B, D, H, J, L | Insulin | protein | 29 | 72% helix, 10% strand | P01308 |
| F | Insulin | protein | 30 | 70% helix, 10% strand | P01308 |
Ligands and binding sites
- CRS · M-cresol · ligand · 7 copies · chains A, B, F, H, G, C, D, J, L, E, I, K
- ZN · Zinc ion · metal · 2 copies · chains B, F, J, D, H, L
- NA · Sodium ion · metal · chains C
- CL · Chloride ion · ion · 2 copies · chains B, F, J, D, H, L
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 | 1110 | 0.88 | 0.88 | 148 | CRS |
| 2 | 87 | 0.42 | 0.78 | 23 | CL |
| 3 | 86 | 0.41 | 0.78 | 22 | ZN, CL |
| 4 | 70 | 0.38 | 0.78 | 12 | CRS |
Interfaces
39 interfaces between chains.
- J–L · 693 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 688 Ų buried · 14 hydrogen bonds · protein-protein
- F–H · 684 Ų buried · 14 hydrogen bonds · protein-protein
- I–J · 624 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 619 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 1EV6 · Structure of the monoclinic form of the M-cresol/insulin R6 hexamer · 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 P01308
- Elsewhere: RCSB PDB 1EV6 · PDBe 1EV6 · UniProt P01308
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