MolNFT v1 · #182130 · protein
Structure of P97 (subunits a to E) with substrate engaged
7MHS · Transitional endoplasmic reticulum ATPase: “Structure of P97 (subunits a to E) with substrate engaged”. Electron microscopy, 3 ligands (ADP, BEF, MG), 20 pockets (best druggability 0.81). MolNFT v1 #182130 on GenesisL1: 3D…
- PDB
- 7MHS
- Type
- protein
- Length
- 2,674 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transitional endoplasmic reticulum ATPase; Unknown substrate
- EC
- 3.6.4.6
- UniProt
- P55072
- Ligands
- ADP, BEF, MG
- Pockets
- 20 · best druggability 0.81
Structure
electron microscopy · 6 distinct chains · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transitional endoplasmic reticulum ATPase (EC 3.6.4.6) | protein | 534 | 50% helix, 10% strand | P55072 |
| B | Transitional endoplasmic reticulum ATPase (EC 3.6.4.6) | protein | 544 | 50% helix, 10% strand | P55072 |
| C | Transitional endoplasmic reticulum ATPase (EC 3.6.4.6) | protein | 544 | 50% helix, 10% strand | P55072 |
| D | Transitional endoplasmic reticulum ATPase (EC 3.6.4.6) | protein | 541 | 50% helix, 10% strand | P55072 |
| E | Transitional endoplasmic reticulum ATPase (EC 3.6.4.6) | protein | 489 | 55% helix, 10% strand | P55072 |
| G | Unknown substrate | protein | 22 | 0% helix, 27% strand | — |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 10 copies · chains A, B, C, D, E
- BEF · Beryllium trifluoride ion · ligand · 8 copies · chains A, B, C, D, E
- MG · Magnesium ion · metal · 8 copies · chains A, B, C, D, E
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 | 992 | 0.81 | 0.83 | 104 | ADP, BEF, MG |
| 2 | 853 | 0.81 | 0.83 | 80 | ADP, BEF, MG |
| 3 | 684 | 0.81 | 0.85 | 67 | ADP, BEF, MG |
| 4 | 757 | 0.80 | 0.84 | 68 | ADP, BEF, MG |
| 5 | 652 | 0.79 | 0.84 | 60 | ADP, BEF, MG |
Interfaces
15 interfaces between chains.
- B–C · 4315 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 4220 Ų buried · 39 hydrogen bonds · protein-protein
- A–B · 4211 Ų buried · 33 hydrogen bonds · protein-protein
- D–E · 3846 Ų buried · 24 hydrogen bonds · protein-protein
- C–G · 413 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7MHS · Structure of p97 (subunits A to E) with substrate engaged · 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 P55072
- Elsewhere: RCSB PDB 7MHS · PDBe 7MHS · UniProt P55072
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