Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
23D | | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | 2cdz | A | E399 G401 | N53 | | N-[6,6-DIMETHYL-5-[(2S)-4-METHYL-2- (PHENYLMETHYL)PIPERAZIN-1-YL]CARBONYL-2,4- DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]-3-PHENOXY- BENZAMIDE | 4app | A | E399 G401 R586 | III | | Peptide ligand (ARG,ARG,ARG,ARG,SER,TRP) | 4jdi | A | E512 | 2OL | | 1-({1-(2-AMINOPYRIMIDIN-4-YL)-2-[(2-METHOXYETHYL) AMINO]-1H-BENZIMIDAZOL-6-YL}ETHYNYL)CYCLOHEXANOL | 4o0v | A | G401 | NJD | | N-(1H-INDAZOL-5-YL)-N'-[2-(1H-INDOL-3-YL)ETHYL]-6- METHOXY-1,3,5-TRIAZINE-2,4-DIAMINE | 4njd | A | G401 | 4T6 | | N~2~-[(7-CHLORO-1H-BENZIMIDAZOL-6-YL)METHYL]-N~4~-(5- CYCLOPROPYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE | 5bms | A | G401 | III | | Peptide ligand (ARG,PRO,LYS,PRO,LEU,VAL,ASP) | 4fif | A | R359 | III | | Peptide ligand (ARG,PRO,LYS,PRO,LEU,VAL,ASP) | 4fif | B | R359 | III | | Peptide ligand (ARG,ARG,ARG,SER,TRP,TYR) | 4jdk | A | R359 | III | | Peptide ligand (GLY,ARG,SER,ARG,GLN,PRO,LEU,VAL,LEU,GLY,ASP,ASN,CYS) | 4xbu | A | R359 E361 R489 E512 | III | | Peptide ligand (ARG,ARG,ARG,ARG,ARG,SER,TRP,TYR,PHE,ASP,GLY) | 2q0n | A | R359 M482 E512 | III | | Peptide ligand (ARG,ARG,ARG,THR,TRP,TYR,PHE,GLY,GLY) | 4jdh | A | R359 R489 | ANP | | AMP-PNP | 4fie | A | T332 | ANP | | AMP-PNP | 4fie | B | T332 | ANP | | AMP-PNP | 4fif | A | T332 | ANP | | AMP-PNP | 4fif | B | T332 | ANP | | AMP-PNP | 4fig | A | T332 | ANP | | AMP-PNP | 4fig | B | T332 | ANP | | AMP-PNP | 4jdi | A | T332 | ATP | | ATP | 4xbr | A | T332 | X4Z | | PF-0375830 | 2x4z | A | T332 E399 G401 | III | | Peptide ligand (ARG,ARG,ARG,THR,TRP,TYR) | 4jdj | A | T332 R359 |
LBS | AA sequence | # species | Species |
A348 | SGKLVAVKKMD | 2 | Homo sapiens, Mus musculus | A348 | TGRQVAVKKMD | 1 | Drosophila melanogaster | A402 | FLEGGALTDIV | 2 | Homo sapiens, Mus musculus | A402 | YLEGGALTDIV | 1 | Drosophila melanogaster | D405 | GGALTDIVTHT | 2 | Homo sapiens, Mus musculus | D405 | GGALTDIVTHS | 1 | Drosophila melanogaster | D440 | GVIHRDIKSDS | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | D444 | RDIKSDSILLT | 2 | Homo sapiens, Mus musculus | D444 | RDIKSDSILLA | 1 | Drosophila melanogaster | D458 | RVKLSDFGFCA | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | E329 | FIKIGEGSTGI | 2 | Homo sapiens, Mus musculus | E329 | FNKIGEGSTGT | 1 | Drosophila melanogaster | E361 | KQQRRELLFNE | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | E366 | ELLFNEVVIMR | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | E396 | LWVVMEFLEGG | 2 | Homo sapiens, Mus musculus | E396 | LWVVMEYLEGG | 1 | Drosophila melanogaster | E399 | VMEFLEGGALT | 2 | Homo sapiens, Mus musculus | E399 | VMEYLEGGALT | 1 | Drosophila melanogaster | E507 | GIMVIEMVDGE | 2 | Homo sapiens, Drosophila melanogaster | E507 | GVMVIEMVDGE | 1 | Mus musculus | E512 | EMVDGEPPYFN | 2 | Homo sapiens, Mus musculus | E512 | EMVDGEPPFFN | 1 | Drosophila melanogaster | E518 | PPYFNEPPLKA | 2 | Homo sapiens, Mus musculus | E518 | PPFFNEPPLQA | 1 | Drosophila melanogaster | F397 | WVVMEFLEGGA | 2 | Homo sapiens, Mus musculus | F397 | WVVMEYLEGGA | 1 | Drosophila melanogaster | F459 | VKLSDFGFCAQ | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | F461 | LSDFGFCAQVS | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | F516 | GEPPYFNEPPL | 2 | Homo sapiens, Mus musculus | F516 | GEPPFFNEPPL | 1 | Drosophila melanogaster | G328 | NFIKIGEGSTG | 2 | Homo sapiens, Mus musculus | G328 | HFNKIGEGSTG | 1 | Drosophila melanogaster | G330 | IKIGEGSTGIV | 2 | Homo sapiens, Mus musculus | G330 | NKIGEGSTGTV | 1 | Drosophila melanogaster | G333 | GEGSTGIVCIA | 2 | Homo sapiens, Mus musculus | G333 | GEGSTGTVCIA | 1 | Drosophila melanogaster | G401 | EFLEGGALTDI | 2 | Homo sapiens, Mus musculus | G401 | EYLEGGALTDI | 1 | Drosophila melanogaster | G460 | KLSDFGFCAQV | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | G477 | RKSLVGTPYWM | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | I327 | DNFIKIGEGST | 2 | Homo sapiens, Mus musculus | I327 | DHFNKIGEGST | 1 | Drosophila melanogaster | I334 | EGSTGIVCIAT | 2 | Homo sapiens, Mus musculus | I334 | EGSTGTVCIAT | 1 | Drosophila melanogaster | K350 | KLVAVKKMDLR | 2 | Homo sapiens, Mus musculus | K350 | RQVAVKKMDLR | 1 | Drosophila melanogaster | K442 | IHRDIKSDSIL | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | L362 | QQRRELLFNEV | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | L398 | VVMEFLEGGAL | 2 | Homo sapiens, Mus musculus | L398 | VVMEYLEGGAL | 1 | Drosophila melanogaster | L447 | KSDSILLTHDG | 2 | Homo sapiens, Mus musculus | L447 | KSDSILLAADG | 1 | Drosophila melanogaster | L475 | PRRKSLVGTPY | 2 | Homo sapiens, Mus musculus | L475 | PKRKSLVGTPY | 1 | Drosophila melanogaster | L521 | FNEPPLKAMKM | 2 | Homo sapiens, Mus musculus | L521 | FNEPPLQAMRR | 1 | Drosophila melanogaster | M381 | ENVVEMYNSYL | 2 | Homo sapiens, Mus musculus | M381 | PNIVETYSSFL | 1 | Drosophila melanogaster | M395 | ELWVVMEFLEG | 2 | Homo sapiens, Mus musculus | M395 | ELWVVMEYLEG | 1 | Drosophila melanogaster | M482 | GTPYWMAPELI | 2 | Homo sapiens, Mus musculus | M482 | GTPYWMSPEVI | 1 | Drosophila melanogaster | M524 | PPLKAMKMIRD | 2 | Homo sapiens, Mus musculus | M524 | PPLQAMRRIRD | 1 | Drosophila melanogaster | N517 | EPPYFNEPPLK | 2 | Homo sapiens, Mus musculus | N517 | EPPFFNEPPLQ | 1 | Drosophila melanogaster | P479 | SLVGTPYWMAP | 2 | Homo sapiens, Mus musculus | P479 | SLVGTPYWMSP | 1 | Drosophila melanogaster | P519 | PYFNEPPLKAM | 2 | Homo sapiens, Mus musculus | P519 | PFFNEPPLQAM | 1 | Drosophila melanogaster | P520 | YFNEPPLKAMK | 2 | Homo sapiens, Mus musculus | P520 | FFNEPPLQAMR | 1 | Drosophila melanogaster | Q358 | DLRKQQRRELL | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | R359 | LRKQQRRELLF | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | R489 | PELISRLPYGP | 2 | Homo sapiens, Mus musculus | R489 | PEVISRLPYGP | 1 | Drosophila melanogaster | R586 | IVPLMRQNRTR | 1 | Homo sapiens | R586 | LVPLMRNARHH | 1 | Drosophila melanogaster | R586 | IVPLMRQHRTR | 1 | Mus musculus | S331 | KIGEGSTGIVC | 2 | Homo sapiens, Mus musculus | S331 | KIGEGSTGTVC | 1 | Drosophila melanogaster | S443 | HRDIKSDSILL | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | S457 | GRVKLSDFGFC | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | S474 | VPRRKSLVGTP | 2 | Homo sapiens, Mus musculus | S474 | LPKRKSLVGTP | 1 | Drosophila melanogaster | T332 | IGEGSTGIVCI | 2 | Homo sapiens, Mus musculus | T332 | IGEGSTGTVCI | 1 | Drosophila melanogaster | T404 | EGGALTDIVTH | 3 | Homo sapiens, Drosophila melanogaster, Mus musculus | T478 | KSLVGTPYWMA | 2 | Homo sapiens, Mus musculus | T478 | KSLVGTPYWMS | 1 | Drosophila melanogaster | V335 | GSTGIVCIATV | 2 | Homo sapiens, Mus musculus | V335 | GSTGTVCIATD | 1 | Drosophila melanogaster | V379 | QHENVVEMYNS | 1 | Homo sapiens | V379 | HHPNIVETYSS | 1 | Drosophila melanogaster | V379 | RHENVVEMYNS | 1 | Mus musculus | V393 | GDELWVVMEFL | 2 | Homo sapiens, Mus musculus | V393 | NDELWVVMEYL | 1 | Drosophila melanogaster | V476 | RRKSLVGTPYW | 2 | Homo sapiens, Mus musculus | V476 | KRKSLVGTPYW | 1 | Drosophila melanogaster | W481 | VGTPYWMAPEL | 2 | Homo sapiens, Mus musculus | W481 | VGTPYWMSPEV | 1 | Drosophila melanogaster | Y480 | LVGTPYWMAPE | 2 | Homo sapiens, Mus musculus | Y480 | LVGTPYWMSPE | 1 | Drosophila melanogaster |