Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T19567 | Target Info | |||
| Target Name | Beta-N-acetylhexosaminidase (OGA) | ||||
| Synonyms | OGA; Nuclear cytoplasmic OGlcNAcase and acetyltransferase; Meningiomaexpressed antigen 5; MGEA5; Histone acetyltransferase; Bifunctional protein NCOAT | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MGEA5 | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (3aR,5R,6S,7R,7aR)-2-(Ethylamino)-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-5H-pyrano[3,2-d]thiazole-6,7-diol | Ligand Info | |||
| Canonical SMILES | CCNC1=NC2C(C(C(OC2S1)CO)O)O | ||||
| InChI | 1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | ||||
| InChIKey | PPAIMZHKIXDJRN-FMDGEEDCSA-N | ||||
| PubChem Compound ID | 24808478 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5M7S Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
RRFLCGVVEG
67 FYGRPWVMEQ77 RKELFRRLQK87 WELNTYLYAP97 KDDYKHRMFW107 REMYSVEEAE 117 QLMTLISAAR127 EYEIEFIYAI137 SPGLDITFSN147 PKEVSTLKRK157 LDQVSQFGCR 167 SFALLFDDID177 HNMCAADKEV187 FSSFAHAQVS197 ITNEIYQYLG207 EPETFLFCPT 217 EYCGTFCYPN227 VSQSPYLRTV237 GEKLLPGIEV247 LWTGPKVVSK257 EIPVESIEEV 267 SKIIKRAPVI277 WDNIHANDYD287 QKRLFLGPYK297 GRSTELIPRL307 KGVLTNPNCE 317 FEANYVAIHT327 LATWYKSNMN337 VLYSPQMALK381 LALTEWLQEF391 GVPHQFVPGP 542 NEKPLYTAEP552 VTLEDLQLLA562 DLFYLPYEHG572 PKGAQMLREF582 QWLRANSSVV 592 SSEKIEEWRS609 RAAKFEEMCG619 LVMGMFTRLS629 NCANRTILYD639 MYSYVWDIKS 649 IMSMVKSFVQ659 WLGCEPWAFR682 GGLAGEFQRL692 LPI
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| PDB ID: 5UN9 The crystal structure of human O-GlcNAcase in complex with Thiamet-G | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
HFLCGVVEGF
68 YGRPWVMEQR78 KELFRRLQKW88 ELNTYLYAPK98 DDYKHRMFWR108 EMYSVEEAEQ 118 LMTLISAARE128 YEIEFIYAIS138 PGLDITFSNP148 KEVSTLKRKL158 DQVSQFGCRS 168 FALLFDDIDH178 NMCAADKEVF188 SSFAHAQVSI198 TNEIYQYLGE208 PETFLFCPTE 218 YCGTFCYPNV228 SQSPYLRTVG238 EKLLPGIEVL248 WTGPKVVSKE258 IPVESIEEVS 268 KIIKRAPVIW278 DNIHANDYDQ288 KRLFLGPYKG298 RSTELIPRLK308 GVLTNPNCEF 318 EANYVAIHTL328 ATWYKYSPQM378 ALKLALTEWL388 QEFGVPHQYS398 SVTLEDLQLL 561 ADLFYLPYEH571 GPKGAQMLRE581 FQWLRANSSV591 IEEWRSRAAK613 FEEMCGLVMG 623 MFTRLSNCAN633 RTILYDMYSY643 VWDIKSIMSM653 VKSFVQWLGR682 GGLAGEFQRL 692 LPIDGAND
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural and functional insight into human O-GlcNAcase. Nat Chem Biol. 2017 Jun;13(6):610-612. | ||||
| REF 2 | Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode. Nat Struct Mol Biol. 2017 Apr;24(4):362-369. | ||||
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