Detail Information of DT Wildtype Structure
| General Information of Drug Transporter (DT) | ||||||
|---|---|---|---|---|---|---|
| DT ID | DTD0083 Transporter Info | |||||
| Gene Name | SLC12A2 | |||||
| Transporter Name | Basolateral Na-K-Cl symporter | |||||
| Gene ID | ||||||
| UniProt ID | ||||||
| Modelled Structures of This DT | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Detail Information of Structural Model | ||||||
| Method | Homology modeling | |||||
| Template PDB | 6PZT_A | Identity | 99.571% | |||
| Performance | Minimized Score | -1143.484 kcal/mol | ||||
| Ramachandra Favored | Medium |
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| QMEANBrane Quality | High |
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| Ramachandran Plot |
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| Click to Save Ramachandran Plot in PNG Format | ||||||
| Ramz Z Score | -1.11 ±0.35 | |||||
| Residues in Favored Region | 447 | Ramachandran favored | 96.34% | |||
| Number of Outliers | 3 | Ramachandran outliers | 0.65% | |||
| Local Quality |
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| Click to Save Local Quality Plot in PNG Format | ||||||
| QMEANBrane Score | 0.83 | |||||
| AlphaFold Protein Structure Database | ||||||
| SWISS-MODEL Database | ||||||
| Experimental Structures of This DT | ||||||
| PDB ID | Scanning Method | Resolution | Expression System | Details | Ref | |
| 6PZT | EM | 3.46 Å | Mammalian expression vector BsrGI-MCS-pcDNA3.1 | [1] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 1-1212 | Mutation | Yes | |||
| 7D10 | EM | 3.52 Å | Homo sapiens | [2] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 1212 | Mutation | No | |||
| 7MXO | EM | 3.47 Å | N.A. | [3] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 923 | Mutation | No | |||
| 7N3N | EM | 3.33 Å | N.A. | [3] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 1212 | Mutation | No | |||
| 7S1X | EM | 2.9 Å | Mammalian Expression Vector Bsrgi-mcs-pcdna3.1 | |||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 1216 | Mutation | No | |||
| 7S1Y | EM | 3.6 Å | Mammalian Expression Vector Bsrgi-mcs-pcdna3.1 | |||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 1215 | Mutation | No | |||
| 7S1Z | EM | 3.3 Å | Mammalian Expression Vector Bsrgi-mcs-pcdna3.1 | |||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 1216 | Mutation | No | |||
| 7SFL | EM | 3.87 Å | Homo sapiens | [3] | ||
| Structure | ||||||
| Click to Save PDB File in TXT Format | ||||||
| Corresponding chain | A/B | |||||
| Sequence Length | 925 | Mutation | No | |||
| References | ||||||
| 1 | Structure of the human cation-chloride cotransporter NKCC1 determined by single-particle electron cryo-microscopy. Nat Commun. 2020 Feb 21;11(1):1016. | |||||
| 2 | The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2. Commun Biol. 2021;4(1):226. | |||||
| 3 | Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling. Sci Adv. 2022;8(43):eabq0952. | |||||
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