MolNFT v1 · #47020 · protein
Structure of human insulin in presence of urea at pH 6.5
2OM0 · Insulin a chain: “Structure of human insulin in presence of urea at pH 6.5”. X-ray diffraction, 4 ligands (RCO, URE, ZN), 15 pockets (best druggability 0.88). MolNFT v1 #47020 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2OM0
- Type
- protein
- Length
- 900 residues
- Chains
- 36
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin a chain; Insulin B chain
- UniProt
- P01308
- Ligands
- RCO, URE, ZN, CL
- Pockets
- 15 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K, Q, S, U, X, 1, 3, a, c, e, g, i, k | Insulin a chain | protein | 21 | 52% helix, 5% strand | P01308 |
| B, D, F, H, J, L, R, T, V, Y, 2, 4, b, d, f, h, j, l | Insulin B chain | protein | 29 | 69% helix, 10% strand | P01308 |
Ligands and binding sites
- RCO · Resorcinol · ligand · 18 copies · chains A, B, F, H, C, D, J, L, E, G, I, K, Q, R, T, 2, S, V, 4, U, Y, X, 1, 3, a, b, f, j, c, d, l, e, h, g, i, k
- URE · Urea · ligand · 12 copies · chains A, C, U, V, D, G, H, E, I, Q, S, f, 1, d, e, h, 4, g
- ZN · Zinc ion · metal · 6 copies · chains B, F, J, D, H, L, R, T, V, Y, 2, 4, b, d, f, h, j, l
- CL · Chloride ion · ion · 6 copies · chains B, F, J, D, H, L, R, T, V, Y, 2, 4, b, d, f, h, j, l
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 834 | 0.88 | 0.90 | 132 | RCO |
| 2 | 525 | 0.86 | 0.92 | 79 | RCO |
| 3 | 509 | 0.82 | 0.89 | 75 | RCO |
| 4 | 176 | 0.61 | 0.83 | 33 | RCO |
| 5 | 225 | 0.60 | 0.80 | 37 | RCO, URE |
Interfaces
131 interfaces between chains.
- b–l · 762 Ų buried · 16 hydrogen bonds · protein-protein
- d–h · 730 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 716 Ų buried · 13 hydrogen bonds · protein-protein
- F–H · 712 Ų buried · 16 hydrogen bonds · protein-protein
- V–4 · 701 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 54 disulfide (disulfide).
Compared structures
- 2OM0 · Structure of human insulin in presence of urea at pH 6.5 · the same entry in another collection · chain B against B, 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 2OM0 · PDBe 2OM0 · UniProt P01308
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