MolNFT v1 · #7460 · protein
1.3 a structure of T3R3 human insulin at 100 K
1G7B · Insulin a-chain: “1.3 a structure of T3R3 human insulin at 100 K”. X-ray diffraction, 3 ligands (ACN, ZN, CL), 1 pocket (best druggability 0.57). MolNFT v1 #7460 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1G7B
- Type
- protein
- Length
- 201 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin a-chain; Insulin B-chain
- UniProt
- P01308
- Ligands
- ACN, ZN, CL
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 4 distinct chains · 61% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Insulin a-chain | protein | 21 | 62% helix, 5% strand | P01308 |
| B, F | Insulin B-chain | protein | 30 | 50% helix, 10% strand | P01308 |
| D | Insulin B-chain | protein | 29 | 66% helix, 10% strand | P01308 |
| H | Insulin B-chain | protein | 28 | 68% helix, 11% strand | P01308 |
Ligands and binding sites
- ACN · Acetone · ligand · chains G, H
- ZN · Zinc ion · metal · 7 copies · chains B, A, D, F, H
- CL · Chloride ion · ion · 7 copies · chains B, D, C, E, F, H
- GOL · Glycerol · additive · chains G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 281 | 0.57 | 0.77 | 31 | empty |
Interfaces
14 interfaces between chains.
- E–F · 841 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 818 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 613 Ų buried · 9 hydrogen bonds · protein-protein
- G–H · 609 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 603 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1G7B · 1.3 a structure of T3R3 human insulin at 100 K · 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 1G7B · PDBe 1G7B · UniProt P01308
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