Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
ANP | | AMP-PNP | 1ig1 | A | A40 K42 V96 | ANP | | AMP-PNP | 1jkk | A | A40 K42 V96 | ANP | | AMP-PNP | 1jkl | A | A40 K42 V96 | DRG | | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | 1p4f | A | A40 K42 V96 | STU | | STAUROSPORINE | 1wvy | A | A40 K42 V96 | ADP | | ADP | 2w4j | A | A40 K42 V96 | ADP | | ADP | 2w4k | A | A40 K42 V96 | ADP | | ADP | 2xuu | A | A40 K42 V96 | OSV | | RUTHENIUM OCTASPORINE 4 | 2yak | A | A40 K42 V96 | ANP | | AMP-PNP | 3dfc | B | A40 K42 V96 | ADP | | ADP | 3eh9 | A | A40 K42 V96 | ANP | | AMP-PNP | 3eha | A | A40 K42 V96 | ADP | | ADP | 3f5g | A | A40 K42 V96 | ANP | | AMP-PNP | 3f5u | A | A40 K42 V96 | ANP | | AMP-PNP | 3gu4 | A | A40 K42 V96 | ANP | | AMP-PNP | 3gu5 | A | A40 K42 V96 | ADP | | ADP | 3gu6 | A | A40 K42 V96 | ADP | | ADP | 3gu7 | A | A40 K42 V96 | 3GU | | N6-CYCLOPENTYLADENOSINE | 3gu8 | A | A40 K42 V96 | GUB | | 9-ALPHA-L-LYXOFURANOSYL-N-(2-PHENYLETHYL)-9H-PURIN-6-AMINE | 3gub | A | A40 K42 V96 | ACP | | ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE | 3zxt | A | A40 K42 V96 | ACP | | ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE | 3zxt | B | A40 K42 V96 | ACP | | ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE | 3zxt | C | A40 K42 V96 | ACP | | ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE | 3zxt | D | A40 K42 V96 | 38G | | 4-(3-{3-[(R)-{[2-(DIMETHYLAMINO)ETHYL]AMINO}(HYDROXY) METHYL]PHENYL}IMIDAZO[1,2-B]PYRIDAZIN-6-YL)-2- METHOXYPHENOL | 4txc | A | A40 K42 V96 | 2AN | | 8-ANILINO-1-NAPHTHALENE SULFONATE | 5aut | A | A40 K42 V96 | LU2 | | LUTEOLIN | 5auu | A | A40 K42 V96 | AGI | | APIGENIN | 5auv | A | A40 K42 V96 | QUE | | QUERCETIN | 5auw | A | A40 K42 V96 | KMP | | KAEMPFEROL | 5aux | A | A40 K42 V96 | MRI | MORIN | 2-[2,4-BIS(OXIDANYL)PHENYL]-3,5,7-TRIS(OXIDANYL) CHROMEN-4-ONE | 5auy | A | A40 K42 V96 | GEN | | GENISTEIN | 5auz | A | A40 K42 V96 | KMP | | KAEMPFEROL | 5av2 | A | A40 K42 V96 | KMP | | KAEMPFEROL | 5av3 | A | A40 K42 V96 | GEN | | GENISTEIN | 5av4 | A | A40 K42 V96 | BD4 | | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE | 1wvx | A | A40 V96 | 4FT | | PHTHALAZINE | 4yo4 | A | A40 V96 | DKG | | 4-METHYLPYRIDAZINE | 4ypd | A | A40 V96 | 47X | | 3',4',7-TRIHYDROXYISOFLAVONE | 5av0 | A | A40 V96 | IOD | | IODIDE | 5av3 | A | F183 | IOD | | IODIDE | 5av3 | A | F183 | BR | | BROMIDE | 5av1 | A | G16 K29 | BR | | BROMIDE | 5av2 | A | G16 K29 | BR | | BROMIDE | 5av4 | A | G16 K29 | MG | | MAGNESIUM(2+) | 4pf4 | A | K42 | MG | | MAGNESIUM(2+) | 4tl0 | A | K42 | CL | | CHLORIDE | 5auv | A | K42 | CL | | CHLORIDE | 5aux | A | K42 | BR | | BROMIDE | 5av1 | A | K42 | BR | | BROMIDE | 5av2 | A | K42 | IOD | | IODIDE | 5av3 | A | K42 | IOD | | IODIDE | 5av3 | A | K42 | BR | | BROMIDE | 5av4 | A | K42 | BR | | BROMIDE | 5av1 | A | P181 | IOD | | IODIDE | 5av3 | A | P181 |
LBS | AA sequence | # species | Species |
A25 | GSGQFAVVKKC | 2 | Homo sapiens, Mus musculus | A25 | GSGQFAVVRRV | 1 | Caenorhabditis elegans | A40 | TGLQYAAKFIK | 2 | Homo sapiens, Mus musculus | A40 | TGEKYAAKFIK | 1 | Caenorhabditis elegans | A97 | ILELVAGGELF | 2 | Homo sapiens, Mus musculus | A97 | VLELVSGGELF | 1 | Caenorhabditis elegans | D139 | QIAHFDLKPEN | 2 | Homo sapiens, Mus musculus | D139 | HIVHLDIKPEN | 1 | Caenorhabditis elegans | D161 | RIKIIDFGLAH | 2 | Homo sapiens, Mus musculus | D161 | QIKIIDFGLSR | 1 | Caenorhabditis elegans | E100 | LVAGGELFDFL | 2 | Homo sapiens, Mus musculus | E100 | LVSGGELFDHV | 1 | Caenorhabditis elegans | E143 | FDLKPENIMLL | 2 | Homo sapiens, Mus musculus | E143 | LDIKPENVMLK | 1 | Caenorhabditis elegans | E17 | YYDTGEELGSG | 2 | Homo sapiens, Mus musculus | E17 | VYEIETELGSG | 1 | Caenorhabditis elegans | E64 | EDIEREVSILK | 2 | Homo sapiens, Mus musculus | E64 | QNIEREVRVLQ | 1 | Caenorhabditis elegans | E94 | VILILELVAGG | 2 | Homo sapiens, Mus musculus | E94 | VIIVLELVSGG | 1 | Caenorhabditis elegans | F102 | AGGELFDFLAE | 2 | Homo sapiens, Mus musculus | F102 | SGGELFDHVCA | 1 | Caenorhabditis elegans | F162 | IKIIDFGLAHK | 2 | Homo sapiens, Mus musculus | F162 | IKIIDFGLSRE | 1 | Caenorhabditis elegans | F183 | FGTPEFVAPEI | 2 | Homo sapiens, Mus musculus | F183 | VGTPEFVAPEV | 1 | Caenorhabditis elegans | F24 | LGSGQFAVVKK | 2 | Homo sapiens, Mus musculus | F24 | LGSGQFAVVRR | 1 | Caenorhabditis elegans | G16 | DYYDTGEELGS | 2 | Homo sapiens, Mus musculus | G16 | DVYEIETELGS | 1 | Caenorhabditis elegans | G20 | TGEELGSGQFA | 2 | Homo sapiens, Mus musculus | G20 | IETELGSGQFA | 1 | Caenorhabditis elegans | G22 | EELGSGQFAVV | 2 | Homo sapiens, Mus musculus | G22 | TELGSGQFAVV | 1 | Caenorhabditis elegans | H131 | GVYYLHSLQIA | 2 | Homo sapiens, Mus musculus | H131 | AVRHLHSLHIV | 1 | Caenorhabditis elegans | I160 | PRIKIIDFGLA | 2 | Homo sapiens, Mus musculus | I160 | SQIKIIDFGLS | 1 | Caenorhabditis elegans | I209 | GVITYILLSGA | 2 | Homo sapiens, Mus musculus | I209 | GVVTYILLSGG | 1 | Caenorhabditis elegans | I266 | KKRMTIQDSLQ | 2 | Homo sapiens, Mus musculus | I266 | DQRATVEECLQ | 1 | Caenorhabditis elegans | I77 | -HPNVITLHEV | 2 | Homo sapiens, Mus musculus | I77 | GNSNVVELHAV | 1 | Caenorhabditis elegans | K141 | AHFDLKPENIM | 2 | Homo sapiens, Mus musculus | K141 | VHLDIKPENVM | 1 | Caenorhabditis elegans | K222 | FLGDTKQETLA | 2 | Homo sapiens, Mus musculus | K222 | FLGDNRDETFS | 1 | Caenorhabditis elegans | K29 | FAVVKKCREKS | 2 | Homo sapiens, Mus musculus | K29 | FAVVRRVRDRK | 1 | Caenorhabditis elegans | K42 | LQYAAKFIKKR | 2 | Homo sapiens, Mus musculus | K42 | EKYAAKFIKKR | 1 | Caenorhabditis elegans | L19 | DTGEELGSGQF | 2 | Homo sapiens, Mus musculus | L19 | EIETELGSGQF | 1 | Caenorhabditis elegans | L196 | YEPLGLEADMW | 2 | Homo sapiens, Mus musculus | L196 | YEALSPATDMW | 1 | Caenorhabditis elegans | L218 | GASPFLGDTKQ | 2 | Homo sapiens, Mus musculus | L218 | GGSPFLGDNRD | 1 | Caenorhabditis elegans | L68 | REVSILKEIQ- | 1 | Homo sapiens | L68 | REVRVLQKIRG | 1 | Caenorhabditis elegans | L68 | REVSILKEIR- | 1 | Mus musculus | L79 | PNVITLHEVYE | 2 | Homo sapiens, Mus musculus | L79 | SNVVELHAVYE | 1 | Caenorhabditis elegans | L91 | KTDVILILELV | 2 | Homo sapiens, Mus musculus | L91 | ASDVIIVLELV | 1 | Caenorhabditis elegans | L93 | DVILILELVAG | 2 | Homo sapiens, Mus musculus | L93 | DVIIVLELVSG | 1 | Caenorhabditis elegans | L95 | ILILELVAGGE | 2 | Homo sapiens, Mus musculus | L95 | IIVLELVSGGE | 1 | Caenorhabditis elegans | M146 | KPENIMLLDRN | 2 | Homo sapiens, Mus musculus | M146 | KPENVMLKQRG | 1 | Caenorhabditis elegans | M200 | GLEADMWSIGV | 2 | Homo sapiens, Mus musculus | M200 | SPATDMWAVGV | 1 | Caenorhabditis elegans | N144 | DLKPENIMLLD | 2 | Homo sapiens, Mus musculus | N144 | DIKPENVMLKQ | 1 | Caenorhabditis elegans | P142 | HFDLKPENIML | 2 | Homo sapiens, Mus musculus | P142 | HLDIKPENVML | 1 | Caenorhabditis elegans | P181 | NIFGTPEFVAP | 2 | Homo sapiens, Mus musculus | P181 | DMVGTPEFVAP | 1 | Caenorhabditis elegans | Q23 | ELGSGQFAVVK | 2 | Homo sapiens, Mus musculus | Q23 | ELGSGQFAVVR | 1 | Caenorhabditis elegans | Q267 | KRMTIQDSLQH | 2 | Homo sapiens, Mus musculus | Q267 | QRATVEECLQH | 1 | Caenorhabditis elegans | S132 | VYYLHSLQIAH | 2 | Homo sapiens, Mus musculus | S132 | VRHLHSLHIVH | 1 | Caenorhabditis elegans | S21 | GEELGSGQFAV | 2 | Homo sapiens, Mus musculus | S21 | ETELGSGQFAV | 1 | Caenorhabditis elegans | T225 | DTKQETLANVS | 2 | Homo sapiens, Mus musculus | T225 | DNRDETFSNIT | 1 | Caenorhabditis elegans | T265 | PKKRMTIQDSL | 2 | Homo sapiens, Mus musculus | T265 | VDQRATVEECL | 1 | Caenorhabditis elegans | T78 | HPNVITLHEVY | 2 | Homo sapiens, Mus musculus | T78 | NSNVVELHAVY | 1 | Caenorhabditis elegans | V26 | SGQFAVVKKCR | 2 | Homo sapiens, Mus musculus | V26 | SGQFAVVRRVR | 1 | Caenorhabditis elegans | V27 | GQFAVVKKCRE | 2 | Homo sapiens, Mus musculus | V27 | GQFAVVRRVRD | 1 | Caenorhabditis elegans | V96 | LILELVAGGEL | 2 | Homo sapiens, Mus musculus | V96 | IVLELVSGGEL | 1 | Caenorhabditis elegans | Y128 | ILNGVYYLHSL | 1 | Homo sapiens | Y128 | ILLAVRHLHSL | 1 | Caenorhabditis elegans | Y128 | ILSGVYYLHSL | 1 | Mus musculus |