2WTV
Aurora-A Inhibitor Structure
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000212 | biological_process | meiotic spindle organization |
| A | 0000226 | biological_process | microtubule cytoskeleton organization |
| A | 0000278 | biological_process | mitotic cell cycle |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| A | 0007052 | biological_process | mitotic spindle organization |
| A | 0007098 | biological_process | centrosome cycle |
| A | 0007100 | biological_process | mitotic centrosome separation |
| A | 0051321 | biological_process | meiotic cell cycle |
| B | 0000212 | biological_process | meiotic spindle organization |
| B | 0000226 | biological_process | microtubule cytoskeleton organization |
| B | 0000278 | biological_process | mitotic cell cycle |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
| B | 0007052 | biological_process | mitotic spindle organization |
| B | 0007098 | biological_process | centrosome cycle |
| B | 0007100 | biological_process | mitotic centrosome separation |
| B | 0051321 | biological_process | meiotic cell cycle |
| C | 0000212 | biological_process | meiotic spindle organization |
| C | 0000226 | biological_process | microtubule cytoskeleton organization |
| C | 0000278 | biological_process | mitotic cell cycle |
| C | 0004672 | molecular_function | protein kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006468 | biological_process | protein phosphorylation |
| C | 0007052 | biological_process | mitotic spindle organization |
| C | 0007098 | biological_process | centrosome cycle |
| C | 0007100 | biological_process | mitotic centrosome separation |
| C | 0051321 | biological_process | meiotic cell cycle |
| D | 0000212 | biological_process | meiotic spindle organization |
| D | 0000226 | biological_process | microtubule cytoskeleton organization |
| D | 0000278 | biological_process | mitotic cell cycle |
| D | 0004672 | molecular_function | protein kinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0006468 | biological_process | protein phosphorylation |
| D | 0007052 | biological_process | mitotic spindle organization |
| D | 0007098 | biological_process | centrosome cycle |
| D | 0007100 | biological_process | mitotic centrosome separation |
| D | 0051321 | biological_process | meiotic cell cycle |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE ZZL A 1390 |
| Chain | Residue |
| A | GLY140 |
| A | ALA273 |
| A | ASP274 |
| A | VAL279 |
| A | ACT1392 |
| A | HOH2015 |
| A | HOH2072 |
| A | HOH2111 |
| A | HOH2163 |
| C | LYS171 |
| A | VAL147 |
| A | LYS162 |
| A | LEU194 |
| A | GLU211 |
| A | TYR212 |
| A | ALA213 |
| A | ASN261 |
| A | LEU263 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 1391 |
| Chain | Residue |
| A | GLN231 |
| A | ALA385 |
| A | ASN386 |
| A | SER387 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT A 1392 |
| Chain | Residue |
| A | GLU217 |
| A | GLU260 |
| A | VAL279 |
| A | ZZL1390 |
| A | HOH2164 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 1393 |
| Chain | Residue |
| A | HIS248 |
| A | MET373 |
| A | LEU374 |
| A | HOH2165 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS A 1394 |
| Chain | Residue |
| A | TYR148 |
| A | ARG205 |
| C | PRO138 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 1390 |
| Chain | Residue |
| A | ASN146 |
| A | TYR148 |
| C | GLY136 |
| C | ARG137 |
| C | HOH2190 |
| C | HOH2191 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE ZZL B 1390 |
| Chain | Residue |
| B | LEU139 |
| B | LYS141 |
| B | VAL147 |
| B | LYS162 |
| B | LEU194 |
| B | GLU211 |
| B | TYR212 |
| B | ALA213 |
| B | ASN261 |
| B | LEU263 |
| B | ALA273 |
| B | ASP274 |
| B | PHE275 |
| B | ACT1393 |
| B | HOH2101 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS B 1391 |
| Chain | Residue |
| B | PRO138 |
| D | TYR148 |
| D | ARG205 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 1392 |
| Chain | Residue |
| B | ASP256 |
| B | LYS258 |
| B | GLY291 |
| B | THR292 |
| B | HOH2192 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 1393 |
| Chain | Residue |
| B | GLU217 |
| B | LYS220 |
| B | VAL279 |
| B | ZZL1390 |
| B | HOH2193 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 1394 |
| Chain | Residue |
| B | EDO1399 |
| B | HOH2194 |
| B | HOH2195 |
| D | ASN146 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 1395 |
| Chain | Residue |
| B | GLU170 |
| B | GLY173 |
| B | GLU175 |
| B | HIS176 |
| site_id | BC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO B 1396 |
| Chain | Residue |
| B | HIS201 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 1397 |
| Chain | Residue |
| B | ASP202 |
| B | ALA203 |
| B | THR204 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 1398 |
| Chain | Residue |
| B | HIS280 |
| B | ALA281 |
| B | TPO287 |
| D | SER266 |
| D | GLU269 |
| D | HOH2131 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 1399 |
| Chain | Residue |
| B | GLY136 |
| B | ARG137 |
| B | EDO1394 |
| D | ASN146 |
| D | TYR148 |
| site_id | BC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO C 1391 |
| Chain | Residue |
| B | ASP229 |
| B | GLN231 |
| B | HOH2074 |
| C | ASP229 |
| C | GLN231 |
| C | ARG232 |
| C | HOH2193 |
| C | HOH2194 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT B 1400 |
| Chain | Residue |
| B | HIS248 |
| B | LYS309 |
| B | MET373 |
| B | LEU374 |
| B | HOH2196 |
| B | HOH2197 |
| site_id | CC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE ZZL C 1392 |
| Chain | Residue |
| C | LEU139 |
| C | LYS141 |
| C | VAL147 |
| C | LYS162 |
| C | LEU194 |
| C | GLU211 |
| C | TYR212 |
| C | ALA213 |
| C | ASN261 |
| C | LEU263 |
| C | ALA273 |
| C | ASP274 |
| C | PHE275 |
| C | VAL279 |
| C | ACT1394 |
| C | HOH2100 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT C 1393 |
| Chain | Residue |
| C | HIS248 |
| C | LYS309 |
| C | MET373 |
| C | LEU374 |
| C | HOH2196 |
| site_id | CC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT C 1394 |
| Chain | Residue |
| C | GLU217 |
| C | LYS220 |
| C | ZZL1392 |
| C | HOH2064 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 1395 |
| Chain | Residue |
| C | ASP256 |
| C | LYS258 |
| C | GLY291 |
| C | THR292 |
| C | HOH2197 |
| site_id | CC5 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE ZZL D 1390 |
| Chain | Residue |
| B | LYS171 |
| D | GLY140 |
| D | VAL147 |
| D | LYS162 |
| D | LEU194 |
| D | GLU211 |
| D | TYR212 |
| D | ALA213 |
| D | ASN261 |
| D | LEU263 |
| D | ALA273 |
| D | ASP274 |
| D | VAL279 |
| D | ACT1392 |
| D | HOH2017 |
| D | HOH2132 |
| D | HOH2179 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 1391 |
| Chain | Residue |
| D | PHE346 |
| D | PHE348 |
| D | HOH2180 |
| D | HOH2181 |
| site_id | CC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT D 1392 |
| Chain | Residue |
| D | GLU217 |
| D | GLU260 |
| D | VAL279 |
| D | ZZL1390 |
| D | HOH2182 |
| site_id | CC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT D 1393 |
| Chain | Residue |
| D | HIS248 |
| D | LYS309 |
| D | LEU374 |
| D | HOH2183 |
| D | HOH2184 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGKFGNVYlArekqskfi..........LALK |
| Chain | Residue | Details |
| A | LEU139-LYS162 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ViHrDIKpeNLLL |
| Chain | Residue | Details |
| A | VAL252-LEU264 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027, ECO:0000269|PubMed:14580337 |
| Chain | Residue | Details |
| A | ASP256 | |
| B | ASP256 | |
| C | ASP256 | |
| D | ASP256 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:27837025, ECO:0007744|PDB:5G1X |
| Chain | Residue | Details |
| A | ASP274 | |
| B | LYS143 | |
| B | LYS162 | |
| B | GLU211 | |
| B | GLU260 | |
| B | ASP274 | |
| C | LYS143 | |
| C | LYS162 | |
| C | GLU211 | |
| C | GLU260 | |
| C | ASP274 | |
| D | LYS143 | |
| D | LYS162 | |
| D | GLU211 | |
| D | GLU260 | |
| D | ASP274 | |
| A | LYS143 | |
| A | LYS162 | |
| A | GLU211 | |
| A | GLU260 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphothreonine => ECO:0000269|PubMed:14580337, ECO:0000269|PubMed:19668197 |
| Chain | Residue | Details |
| A | TPO287 | |
| B | TPO287 | |
| C | TPO287 | |
| D | TPO287 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphothreonine => ECO:0000269|PubMed:11039908, ECO:0000269|PubMed:13678582, ECO:0000269|PubMed:14580337, ECO:0000269|PubMed:16246726, ECO:0000269|PubMed:18662907, ECO:0000269|PubMed:19668197, ECO:0000269|PubMed:26246606 |
| Chain | Residue | Details |
| A | TPO288 | |
| B | TPO288 | |
| C | TPO288 | |
| D | TPO288 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine; by PKA and PAK => ECO:0000269|PubMed:16246726 |
| Chain | Residue | Details |
| A | SER342 | |
| B | SER342 | |
| C | SER342 | |
| D | SER342 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| C | LYS258 | |
| D | LYS258 | |
| A | LYS258 | |
| B | LYS258 |
