Research workbench
Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM)
Analyse Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FN1
- Type
- protein
- Length
- 1,627 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human-mouse chimeric ABCB1 (abcbhm); UIC2 antigen binding fragment light chain; UIC2…
- Ligands
- ZQU, NAG
- Pockets
- 19 · best druggability 0.88
Structure
electron microscopy · 3 distinct chains · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Human-mouse chimeric ABCB1 (abcbhm) | protein | 1182 | 60% helix, 10% strand | — |
| B | UIC2 antigen binding fragment light chain | protein | 220 | 5% helix, 44% strand | — |
| C | UIC2 antigen binding fragment heavy chain | protein | 225 | 3% helix, 45% strand | — |
Ligands and binding sites
- ZQU · Zosuquidar · ligand · 2 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.88 | 0.89 | 90 | ZQU |
| 2 | 460 | 0.79 | 0.87 | 52 | empty |
| 3 | 692 | 0.76 | 0.81 | 59 | empty |
| 4 | 85 | 0.68 | 0.93 | 22 | empty |
| 5 | 519 | 0.59 | 0.74 | 66 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2068 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 930 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 317 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6FN1 · Zosuquidar and UIC2 Fab complex of human-mouse chimeric ABCB1 (ABCB1HM) · 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
- Elsewhere: RCSB PDB 6FN1 · PDBe 6FN1
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