MolNFT v1 · #181671 · protein
Crystal structure of an archaeal cnnm, mtcorb, with C-terminal deletion in complex with MG2+-ATP
7M1T · Hemolysin, contains cbs domains: “Crystal structure of an archaeal cnnm, mtcorb, with C-terminal deletion in complex with MG2+-ATP”. X-ray diffraction, 4 ligands (UMQ, ATP, MG), 4 pockets (best druggability 0.78). MolNFT v1 #181671…
- PDB
- 7M1T
- Type
- protein
- Length
- 637 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemolysin, contains cbs domains
- UniProt
- A0A1G8XA46
- Ligands
- UMQ, ATP, MG, SO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemolysin, contains cbs domains | protein | 321 | 60% helix, 10% strand | A0A1G8XA46 |
| B | Hemolysin, contains cbs domains | protein | 316 | 64% helix, 10% strand | A0A1G8XA46 |
Ligands and binding sites
- UMQ · Undecyl-maltoside · ligand · 10 copies · chains A, B
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 783 | 0.78 | 0.82 | 79 | 1PE |
| 2 | 440 | 0.66 | 0.78 | 44 | ATP, MG |
| 3 | 143 | 0.59 | 0.83 | 18 | empty |
| 4 | 60 | 0.34 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 3627 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 7M1T · Crystal structure of an archaeal CNNM, MtCorB, with C-terminal deletion in complex with… · 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 A0A1G8XA46
- Elsewhere: RCSB PDB 7M1T · PDBe 7M1T · UniProt A0A1G8XA46
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