MolNFT v1 · #175421 · protein
Structure of the human CLCN7-OSTM1 complex with ADP
7CQ7 · Osteopetrosis-associated transmembrane protein 1: “Structure of the human CLCN7-OSTM1 complex with ADP”. Electron microscopy, 3 ligands (ADP, NAG, CL), 20 pockets (best druggability 0.82). MolNFT v1 #175421 on GenesisL1: 3D…
- PDB
- 7CQ7
- Type
- protein
- Length
- 1,766 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Osteopetrosis-associated transmembrane protein 1; H(+)/CL(-) exchange transporter 7
- UniProt
- Q86WC4, P51798
- Ligands
- ADP, NAG, CL
- Pockets
- 20 · best druggability 0.82
Structure
electron microscopy · 4 distinct chains · 56% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Osteopetrosis-associated transmembrane protein 1 | protein | 207 | 70% helix, 1% strand | Q86WC4 |
| B | Osteopetrosis-associated transmembrane protein 1 | protein | 207 | 65% helix, 1% strand | Q86WC4 |
| C | H(+)/CL(-) exchange transporter 7 | protein | 676 | 54% helix, 7% strand | P51798 |
| D | H(+)/CL(-) exchange transporter 7 | protein | 676 | 51% helix, 5% strand | P51798 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains C, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 962 | 0.82 | 0.84 | 82 | empty |
| 2 | 714 | 0.80 | 0.84 | 46 | empty |
| 3 | 663 | 0.79 | 0.84 | 75 | empty |
| 4 | 86 | 0.76 | 0.98 | 34 | empty |
| 5 | 85 | 0.75 | 0.98 | 21 | empty |
Interfaces
4 interfaces between chains.
- C–D · 3815 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 2240 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 1147 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1093 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 5 glycan, 1 covalent (disulfide, N-glycosylation, glycation, covalent ligand, glycosylation).
Compared structures
- 7CQ7 · Structure of the human CLCN7-OSTM1 complex with ADP · the same entry in another collection · chain D against D, TM-score 1.00
- P51798 · AlphaFold monomer V2.0 prediction for H(+)/CL(-) exchange transporter 7 (P51798) · a predicted model of the same protein · chain C against A, TM-score 0.97
- Q86WC4 · AlphaFold monomer V2.0 prediction for osteopetrosis-associated transmembrane protein 1… · a predicted model of the same protein · chain B against A, TM-score 0.82
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 Q86WC4
- Every structure of UniProt P51798
- Elsewhere: RCSB PDB 7CQ7 · PDBe 7CQ7 · UniProt Q86WC4 · UniProt P51798
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.