Publications
Manbir Sandhu, Aaron Cho, Ning Ma, Elizaveta Mukhaleva, Yoon Namkung, Sangbae Lee, Soumadwip Ghosh, John H. Lee, David E. Gloriam, Stéphane A. Laporte, M. Madan Babu, Nagarajan Vaidehi. 2022. Dynamic spatiotemporal determinants modulate GPCR:G protein coupling selectivity and promiscuity. Nature Communications. doi: 10.1038/s41467-022-34055-5. (https://www.nature.com/articles/s41467-022-34055-5)
| Receptor | Uniprot entry name | Uniprot ID | Family | Class | PDB ID | State | Species | Model type | Ligand(s) | Model name | Num. of atoms | Membrane composition | Accum. sim. time (µs) | Software | Force field | Submitted by | ||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| View | 5-hydroxytryptamine receptor 2a | 5ht2a_human | P28223 | 5-Hydroxytryptamine receptors | A | 6WHA | Active | Homo sapiens | Complex | Nboh-2c-cn | HTR2A in complex with mini-Galpha-q protein | 204711 | POPC | 1.00 | GROMACS 2019.3 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(s) subunit alpha isoforms short | adrb2_human | P04896 | None | A | 3SN6 | Active | Bos taurus | Complex | Guanine nucleotide-binding protein g(s) subunit alpha isof... Levisoprenaline | Triple-mutant beta2 adrenergic receptor in complex with Gs... | 156536 | POPC | 1.00 | GROMACS 2019.3 | CHARMM 36m | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(s) subunit alpha isoforms short | adrb2_human | P04896 | None | A | 3SN6 | Active | Bos taurus | Complex | Guanine nucleotide-binding protein g(s) subunit alpha isof... Levisoprenaline | Triple-mutant beta2 adrenergic receptor in complex with Gs... | 156536 | POPC | 0.00 | GROMACS 2019.3 | CHARMM 36m | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(s) subunit alpha isoforms short | adrb2_human | P04896 | None | A | 3SN6 | Active | Bos taurus | Complex | Chembl579394 Guanine nucleotide-binding protein g(s) subunit alpha isof... | Beta2 adrenergic receptor in complex with Gs protein | 192318 | POPC | 1.04 | GROMACS 2016.4 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Adenosine receptor a2a | aa2ar_human gnas2_human | P29274 | Adenosine receptors | A | 6GDG | Active | Homo sapiens | Complex | N-ethyl-5'-carboxamido adenosine | Adenosine A2A receptor in complex with miniGs protein | 125665 | POPC | 1.87 | GROMACS 2016.4 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(s) subunit alpha isoforms short | drd1_human gnas2_human | P63092 | Gprotein | A | 7JVP | Active | Homo sapiens | Complex | 1h-3-benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-m... | Dopamine receptor 1 in complex with Gs protein | 210687 | POPC | 1.00 | GROMACS 2019.3 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(i) subunit alpha-2 | gnai2_human aa1r_human | P04899 | Gprotein | A | 6D9H | Active | Homo sapiens | Complex | Adenosine | Adenosine A1 receptor in complex with Gi2 protein | 129243 | POPC | 1.00 | GROMACS 2016.4 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(o) subunit alpha | 5ht1b_human gnao_human | P09471 | Gprotein | A | 6G79 | Active | Homo sapiens | Complex | 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-... | Serotonin 5-HT1B receptor in complex with Go protein | 119416 | POPC | 1.80 | GROMACS 2016.4 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(i) subunit alpha-1 | cnr1_human gnai1_human | P63096 | Gprotein | A | 6N4B | Active | Homo sapiens | Complex | Mdmb-fubinaca | Cannabinoid Receptor 1 in complex with Gi1 Protein | 203557 | POPC | 1.00 | GROMACS 2019.3 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(i) subunit alpha-1 | gnaq_human hrh1_human gnai1_human | P63096 | Gprotein | A | 7DFL | Active | Homo sapiens | Complex | Eramin | Histamine H1 receptor in complex with Gq protein | 187748 | POPC | 1.00 | GROMACS 2019.3 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein subunit alpha-11 | acm1_human gna11_human | P29992 | Gprotein | A | 6OIJ | Active | Homo sapiens | Complex | Chembl3121473 | Muscarinic acetylcholine receptor 1 in complex with G11 pr... | 178513 | POPC | 1.00 | GROMACS 2019.3 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
| View | Guanine nucleotide-binding protein g(s) subunit alpha isoforms short | gna11_human adrb2_human | P04896 | None | A | 3SN6 | Active | Bos taurus | Complex | Guanine nucleotide-binding protein g(s) subunit alpha isof... Levisoprenaline | Triple-mutant beta2 adrenergic receptor in complex with Gq... | 153787 | POPC | 1.00 | GROMACS 2016.4 | CHARMM CHARMM36 | Nagarajan Vaidehi, Beckman Research Institute of the City of Hop | Report |
