Research workbench
Crystal structure of gdx-clo from small multidrug resistance family of transporters in complex with phenylguanidinium
Analyse Crystal structure of gdx-clo from small multidrug resistance family of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6WK8
- Type
- protein
- Length
- 385 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug resistance protein, smr family; L10 monobody
- UniProt
- U2EQ00
- Ligands
- PL0, 9PD
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Multidrug resistance protein, smr family | protein | 104 | 82% helix, 1% strand | U2EQ00 |
| C | L10 monobody | protein | 90 | 3% helix, 52% strand | — |
| D | L10 monobody | protein | 87 | 0% helix, 55% strand | — |
Ligands and binding sites
- PL0 · 1-phenylguanidine · ligand · chains B, A
- 9PD · Dodecyldimethylphosphine oxide · ligand · chains B, A, D
- DMU · Decyl-beta-D-maltopyranoside · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 492 | 0.74 | 0.82 | 43 | PL0 |
Interfaces
3 interfaces between chains.
- B–A · 1368 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 405 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 376 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6WK8 · Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in… · the same entry in another collection · chain B against B, 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 U2EQ00
- Elsewhere: RCSB PDB 6WK8 · PDBe 6WK8 · UniProt U2EQ00
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