Detail Information of DT Wildtype Structure
| General Information of Drug Transporter (DT) | ||||||
|---|---|---|---|---|---|---|
| DT ID | DTD0014 Transporter Info | |||||
| Gene Name | ABCB11 | |||||
| Transporter Name | Bile salt export pump | |||||
| Gene ID | ||||||
| UniProt ID | ||||||
| Modelled Structures of This DT | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Detail Information of Structural Model | ||||||
| Method | Loop building | |||||
| Template PDB | 6LR0_U | Identity | 99.924% | |||
| Performance | Minimized Score | -2429.527 kcal/mol | ||||
| Ramachandra Favored | Medium |
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| QMEANBrane Quality | Medium |
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| Ramachandran Plot |
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| Click to Save Ramachandran Plot in PNG Format | ||||||
| Ramz Z Score | -2.42 ±0.2 | |||||
| Residues in Favored Region | 1262 | Ramachandran favored | 96.12% | |||
| Number of Outliers | 10 | Ramachandran outliers | 0.76% | |||
| Local Quality |
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| Click to Save Local Quality Plot in PNG Format | ||||||
| QMEANBrane Score | 0.76 | |||||
| AlphaFold Protein Structure Database | ||||||
| SWISS-MODEL Database | ||||||
| Experimental Structures of This DT | ||||||
| PDB ID | Scanning Method | Resolution | Expression System | Details | Ref | |
| 6LR0 | EM | 3.5 Å | Homo sapiens | [1] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | U | |||||
| Sequence Length | 1-1321 | Mutation | Yes | |||
| 7DV5 | EM | 3.7 Å | Homo sapiens | [2] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | U | |||||
| Sequence Length | 1270 | Mutation | No | |||
| 7E1A | EM | 3.66 Å | Homo sapiens | [2] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | U | |||||
| Sequence Length | 1321 | Mutation | No | |||
| 8PM6 | EM | 3.22 Å | Homo sapiens | [3] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A | |||||
| Sequence Length | 1321 | Mutation | No | |||
| 8PMD | EM | 2.95 Å | Homo sapiens | [3] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A | |||||
| Sequence Length | 1321 | Mutation | No | |||
| 8PMJ | EM | 2.81 Å | Homo sapiens | [3] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A | |||||
| Sequence Length | 1321 | Mutation | No | |||
| References | ||||||
| 1 | Cryo-EM structure of human bile salts exporter ABCB11. Cell Res. 2020 Jul;30(7):623-625. | |||||
| 2 | Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets. Cell Res. 2022;32(5):501-504. | |||||
| 3 | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP. Nat Commun. 2023;14(1):7296. | |||||
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