Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
CA | | CALCIUM(2+) | 3f6y | A | D147 | APR | | ADP-RIBOSE | 2i67 | B | K129 R212 | CXR | | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | 2o3q | A | K129 V185 | CXR | | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | 2o3q | B | K129 V185 | CXR | | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | 2o3r | A | K129 V185 | CXR | | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | 2o3r | B | K129 V185 | CXR | | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | 2o3s | A | K129 V185 | 41Z | | 4-[(2,6-DIMETHYLBENZYL)AMINO]-2-METHYLQUINOLINE-8- CARBOXAMIDE | 4xjt | A | K129 V185 | 733 | | 6-FLUORO-2-METHYL-4-[(2,3,6-TRICHLOROBENZYL) AMINO]QUINOLINE-8-CARBOXAMIDE | 4xjs | A | K129 V185 S220 | RGT | | (RIBOSE-5'-PHOSPHATE)-(GUANOSINE-5'-TRIPHOSPHATE) | 3dzi | A | S126 K129 D175 V185 S220 F222 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 2hct | A | S126 K129 S220 F222 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 2hct | B | S126 K129 S220 F222 | CGR | | CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE | 2o3t | A | S126 K129 S220 F222 | AVU | | ARA-2'F-ADPR | 3i9m | A | S126 K129 S220 F222 | AVU | | ARA-2'F-ADPR | 3i9m | B | S126 K129 S220 F222 | AVU | | ARA-2'F-ADPR | 3ofs | A | S126 K129 S220 F222 | AVU | | ARA-2'F-ADPR | 3ofs | B | S126 K129 S220 F222 | AVU | | ARA-2'F-ADPR | 3ofs | C | S126 K129 S220 F222 | AVU | | ARA-2'F-ADPR | 3ofs | D | S126 K129 S220 F222 | AVU | | ARA-2'F-ADPR | 3ofs | F | S126 K129 S220 F222 | DVN | | [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5S)-3,4,5-TRIS(OXIDANYL)OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE | 4f46 | A | S126 K129 V185 S220 F222 | CA | | CALCIUM(2+) | 3f6y | A | S126 S220 | NAD | | NAD ZWITTERION | 2i65 | A | S126 S220 F222 | NAD | | NAD ZWITTERION | 2i65 | B | S126 S220 F222 | G1R | | GUANOSINE DIPHOSPHORIBOSE | 2i66 | A | S126 S220 F222 | G2R | | GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE | 2i66 | B | S126 S220 F222 | APR | | ADP-RIBOSE | 2i67 | A | S126 S220 F222 | APR | | ADP-RIBOSE | 2i67 | B | S126 S220 F222 | NGD | | NICOTINAMIDE GUANINE DINUCLEOTIDE | 2o3u | A | S126 S220 F222 | NGD | | NICOTINAMIDE GUANINE DINUCLEOTIDE | 2o3u | B | S126 S220 F222 | N1C | | N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | 2pgj | A | S126 S220 F222 | N1C | | N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | 2pgl | A | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzf | A | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzf | B | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzf | C | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzf | D | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzf | E | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzf | F | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzg | A | S126 S220 F222 | RF5 | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL | 3dzg | B | S126 S220 F222 | N | | | 3dzi | B | S126 S220 F222 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 3dzj | A | S126 S220 F222 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 3dzj | B | S126 S220 F222 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 3dzk | A | S126 S220 F222 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 3dzk | B | S126 S220 F222 | AVW | | RIBOSYL-2-FLUORO-DEOXY-ADENOSINE DIPHOSPHATE RIBOSE,RIBO-2'F-ADPR | 3i9n | A | S126 S220 F222 | AVU | | ARA-2'F-ADPR | 3ofs | E | S126 S220 F222 | 27C | | 1,4-ANHYDRO-5-O-[(R)-BUTOXY(HYDROXY)PHOSPHORYL]-2-DEOXY-2-FLUORO-D-ARABINITOL | 3rok | A | S126 S220 F222 | 27C | | 1,4-ANHYDRO-5-O-[(R)-BUTOXY(HYDROXY)PHOSPHORYL]-2-DEOXY-2-FLUORO-D-ARABINITOL | 3rok | B | S126 S220 F222 | 48Z | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-THIOPHOSPHONO-D-ARABINITOL | 3rom | A | S126 S220 F222 | 48Z | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-THIOPHOSPHONO-D-ARABINITOL | 3rom | B | S126 S220 F222 | 50A | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-RIBITOL | 3rop | A | S126 S220 F222 | 50A | | 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-RIBITOL | 3rop | B | S126 S220 F222 | 46Z | | (2R,3R,4R)-4-FLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL 2-PHENYLETHYL HYDROGEN (S)-PHOSPHATE | 3roq | A | S126 S220 F222 | 46Z | | (2R,3R,4R)-4-FLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL 2-PHENYLETHYL HYDROGEN (S)-PHOSPHATE | 3roq | B | S126 S220 F222 | C8R | | 8-AMINO-N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | 3u4h | A | S126 S220 F222 | C8R | | 8-AMINO-N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | 3u4h | B | S126 S220 F222 | CVR | | CYCLIC ADENOSINE 5'-DIPHOSPHOCARBOCYCLIC RIBOSE | 3u4i | A | S126 S220 F222 | DN4 | NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE | [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5R)-5-(3-CARBOXYPYRIDIN-1-IUM-1-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHYL PHOSPHATE | 4f45 | A | S126 S220 F222 | DN4 | NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE | [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5R)-5-(3-CARBOXYPYRIDIN-1-IUM-1-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHYL PHOSPHATE | 4f45 | B | S126 S220 F222 | DN4 | NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE | [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5R)-5-(3-CARBOXYPYRIDIN-1-IUM-1-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHYL PHOSPHATE | 4f46 | B | S126 S220 F222 | NMN | | NICOTINAMIDE MONONUCLEOTIDE | 4ogw | A | S126 S220 F222 | JS2 | 8-NH2-HYPOXANTHINE-N9-BUTYL DIPHOSPHATE RIBOSE | 5-O-[(R)-{[(S)-[4-(8-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN- 9-YL)BUTOXY](HYDROXY)PHOSPHORYL]OXY}(HYDROXY) PHOSPHORYL]-ALPHA-D-RIBOFURANOSE | 4tmf | A | S126 S220 F222 | HSX | | ALPHA-D-RIBOSE 5-PHOSPHATE | 4xjs | A | S126 S220 F222 | NA7 | | 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE | 4xjt | A | S126 S220 F222 | AVW | | RIBOSYL-2-FLUORO-DEOXY-ADENOSINE DIPHOSPHATE RIBOSE,RIBO-2'F-ADPR | 3i9n | B | S126 V185 S220 F222 | JS2 | 8-NH2-HYPOXANTHINE-N9-BUTYL DIPHOSPHATE RIBOSE | 5-O-[(R)-{[(S)-[4-(8-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN- 9-YL)BUTOXY](HYDROXY)PHOSPHORYL]OXY}(HYDROXY) PHOSPHORYL]-ALPHA-D-RIBOFURANOSE | 4tmf | B | S126 V185 S220 F222 | G1R | | GUANOSINE DIPHOSPHORIBOSE | 2i66 | A | V185 | CXR | | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | 2o3s | B | V185 | GTP | | GTP | 3dzh | A | V185 | GTP | | GTP | 3dzh | B | V185 | GTP | | GTP | 3dzi | B | V185 | G1R | | GUANOSINE DIPHOSPHORIBOSE | 2i66 | B | V185 R212 |
LBS | AA sequence | # species | Species |
D147 | MFTLEDTLLGY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D155 | LGYIADDLRWC | 2 | Mus musculus, Rattus norvegicus | D155 | LGYLADDLTWC | 1 | Homo sapiens | D156 | GYIADDLRWCG | 2 | Mus musculus, Rattus norvegicus | D156 | GYLADDLTWCG | 1 | Homo sapiens | D175 | YQSCPDWRKDC | 1 | Homo sapiens | D175 | YVSCPHWSENC | 1 | Mus musculus | D175 | YDSCPHWSENC | 1 | Rattus norvegicus | E146 | KMFTLEDTLLG | 2 | Mus musculus, Rattus norvegicus | E146 | DMFTLEDTLLG | 1 | Homo sapiens | E226 | TFGSVEVHNLQ | 1 | Homo sapiens | E226 | TFGSVEVFSLD | 1 | Mus musculus | E226 | TFGSVEVFNLD | 1 | Rattus norvegicus | F222 | DKNSTFGSVEV | 1 | Homo sapiens | F222 | YKNSTFGSVEV | 1 | Mus musculus | F222 | YRNSTFGSVEV | 1 | Rattus norvegicus | K129 | FWSKSKHLAHQ | 2 | Mus musculus, Rattus norvegicus | K129 | LWSRIKDLAHQ | 1 | Homo sapiens | K190 | VSVFWKTVSRR | 1 | Homo sapiens | K190 | ITVFWKVISQK | 1 | Mus musculus | K190 | VAVFWNVISQK | 1 | Rattus norvegicus | L124 | CNKTLFWSKSK | 2 | Mus musculus, Rattus norvegicus | L124 | CNKILLWSRIK | 1 | Homo sapiens | L145 | GKMFTLEDTLL | 2 | Mus musculus, Rattus norvegicus | L145 | RDMFTLEDTLL | 1 | Homo sapiens | R127 | TLFWSKSKHLA | 2 | Mus musculus, Rattus norvegicus | R127 | ILLWSRIKDLA | 1 | Homo sapiens | R177 | SCPHWSENCPN | 2 | Mus musculus, Rattus norvegicus | R177 | SCPDWRKDCSN | 1 | Homo sapiens | R212 | MLNGSRSKIFD | 1 | Homo sapiens | R212 | MLNGSLREPFY | 1 | Mus musculus | R212 | MLNGSLSEPFY | 1 | Rattus norvegicus | S126 | KTLFWSKSKHL | 2 | Mus musculus, Rattus norvegicus | S126 | KILLWSRIKDL | 1 | Homo sapiens | S186 | SNNPVSVFWKT | 1 | Homo sapiens | S186 | PNNPITVFWKV | 1 | Mus musculus | S186 | PNNPVAVFWNV | 1 | Rattus norvegicus | S193 | FWKTVSRRFAE | 1 | Homo sapiens | S193 | FWKVISQKFAE | 1 | Mus musculus | S193 | FWNVISQKFAE | 1 | Rattus norvegicus | S220 | IFDKNSTFGSV | 1 | Homo sapiens | S220 | PFYKNSTFGSV | 1 | Mus musculus | S220 | PFYRNSTFGSV | 1 | Rattus norvegicus | S224 | NSTFGSVEVHN | 1 | Homo sapiens | S224 | NSTFGSVEVFS | 1 | Mus musculus | S224 | NSTFGSVEVFN | 1 | Rattus norvegicus | T144 | QGKMFTLEDTL | 2 | Mus musculus, Rattus norvegicus | T144 | QRDMFTLEDTL | 1 | Homo sapiens | T221 | FDKNSTFGSVE | 1 | Homo sapiens | T221 | FYKNSTFGSVE | 1 | Mus musculus | T221 | FYRNSTFGSVE | 1 | Rattus norvegicus | V185 | CSNNPVSVFWK | 1 | Homo sapiens | V185 | CPNNPITVFWK | 1 | Mus musculus | V185 | CPNNPVAVFWN | 1 | Rattus norvegicus | V225 | STFGSVEVHNL | 1 | Homo sapiens | V225 | STFGSVEVFSL | 1 | Mus musculus | V225 | STFGSVEVFNL | 1 | Rattus norvegicus | W125 | NKTLFWSKSKH | 2 | Mus musculus, Rattus norvegicus | W125 | NKILLWSRIKD | 1 | Homo sapiens | W176 | QSCPDWRKDCS | 1 | Homo sapiens | W176 | VSCPHWSENCP | 1 | Mus musculus | W176 | DSCPHWSENCP | 1 | Rattus norvegicus | W189 | PVSVFWKTVSR | 1 | Homo sapiens | W189 | PITVFWKVISQ | 1 | Mus musculus | W189 | PVAVFWNVISQ | 1 | Rattus norvegicus |