Research workbench
Crystal structure of an outward-open nucleotide-bound state of the eukaryotic ABC multidrug transporter CMABCB1
Analyse Crystal structure of an outward-open nucleotide-bound state of the eukaryotic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A6M
- Type
- protein
- Length
- 589 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-binding cassette, sub-family B, member 1
- UniProt
- M1VAN7
- Ligands
- ANP, MG, NO3
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-binding cassette, sub-family B, member 1 | protein | 589 | 60% helix, 10% strand | M1VAN7 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- NO3 · Nitrate ion · ion · chains A
- DMU · Decyl-beta-D-maltopyranoside · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 415 | 0.69 | 0.80 | 36 | empty |
| 2 | 189 | 0.54 | 0.79 | 26 | empty |
| 3 | 64 | 0.51 | 0.86 | 13 | empty |
| 4 | 246 | 0.50 | 0.74 | 26 | empty |
| 5 | 143 | 0.45 | 0.76 | 29 | empty |
Compared structures
- 6A6M · Crystal structure of an outward-open nucleotide-bound state of the eukaryotic ABC… · 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 M1VAN7
- Elsewhere: RCSB PDB 6A6M · PDBe 6A6M · UniProt M1VAN7
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