MolNFT v1 · #175419 · protein
Structure of the human CLCN7-OSTM1 complex with ATP
7CQ5 · Osteopetrosis-associated transmembrane protein 1: “Structure of the human CLCN7-OSTM1 complex with ATP”. Electron microscopy, 3 ligands (ATP, NAG, CL), 20 pockets (best druggability 0.82). MolNFT v1 #175419 on GenesisL1: 3D…
- PDB
- 7CQ5
- Type
- protein
- Length
- 1,774 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
- ATP, NAG, CL
- Pockets
- 20 · best druggability 0.82
Structure
electron microscopy · 4 distinct chains · 58% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Osteopetrosis-associated transmembrane protein 1 | protein | 207 | 68% helix, 1% strand | Q86WC4 |
| B | Osteopetrosis-associated transmembrane protein 1 | protein | 207 | 65% helix, 1% strand | Q86WC4 |
| C | H(+)/CL(-) exchange transporter 7 | protein | 681 | 55% helix, 8% strand | P51798 |
| D | H(+)/CL(-) exchange transporter 7 | protein | 679 | 56% helix, 7% strand | P51798 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains C, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CL · Chloride ion · ion · 4 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, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 995 | 0.82 | 0.83 | 79 | empty |
| 2 | 926 | 0.82 | 0.83 | 68 | empty |
| 3 | 194 | 0.81 | 0.95 | 29 | empty |
| 4 | 689 | 0.78 | 0.83 | 61 | empty |
| 5 | 661 | 0.75 | 0.81 | 75 | empty |
Interfaces
4 interfaces between chains.
- C–D · 3769 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2314 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1110 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 1096 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 4 glycan, 1 covalent (disulfide, N-glycosylation, glycation, covalent ligand).
Compared structures
- 7CQ5 · Structure of the human CLCN7-OSTM1 complex with ATP · 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 D 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 0.83
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 7CQ5 · PDBe 7CQ5 · UniProt Q86WC4 · UniProt P51798
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