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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 3d4y Chain A Binding Site BS02

Receptor Information >3d4y Chain A (length=1016) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] QCQDVVQDVPNVDVQMLELYDRMSFKDIDGGVWKQGWNIKYDPLKYNAHH KLKVFVVPHSHNDPGWIQTFEEYYQHDTKHILSNALRHLHDNPEMKFIWA EISYFARFYHDLGENKKLQMKSIVKNGQLEFVTGGWVMPDEANSHWRNVL LQLTEGQTWLKQFMNVTPTASWAIDPFGHSPTMPYILQKSGFKNMLIQRT HYSVKKELAQQRQLEFLWRQIWDNKGDTALFTHMMPFYSYDIPHTCGPDP KVCCQFDFKRMGSFGLSCPWKVPPRTISDQNVAARSDLLVDQWKKKAELY RTNVLLIPLGDDFRFKQNTEWDVQRVNYERLFEHINSQAHFNVQAQFGTL QEYFDAVHQAERAGQAEFPTLSGDFFTYADRSDNYWSGYYTSRPYHKRMD RVLMHYVRAAEMLSAWHSWDGMARIEERLEQARRELSLFQHHDGITGTAK THVVVDYEQRMQEALKACQMVMQQSVYRLLTKPSIYSPDFSFSYFTLDDS RWPGSGVEDSRTTIILGEDILPSKHVVMHNTLPHWREQLVDFYVSSPFVS VTDLANNPVEAQVSPVWSWHHDTLTKTIHPQGSTTKYRIIFKARVPPMGL ATYVLTISDSKPEHTSYASNLLLRKNPTSLPLGQYPEDVKFGDPREISLR VGNGPTLAFSEQGLLKSIQLTQDSPHVPVHFKFLKYGVRSHGDRSGAYLF LPNGPASPVELGQPVVLVTKGKLESSVSVGLPSVVHQTIMRGGAPEIRNL VDIGSLDNTEIVMRLETHIDSGDIFYTDLNGLQFIKRRRLDKLPLQANYY PIPSGMFIEDANTRLTLLTGQPLGGSSLASGELEIMQDRRLASDDERGLG QGVLDNKPVLHIYRLVLEKVNNCVRPSKLHPAGYLTSAAHKASQSLLDPL DKFIFAENEWIGAQGQFGGDHPSAREDLDVSVMRRLTKSSAKTQRVGYVL HRTNLMQCGTPEEHTQKLDVCHLLPNVARCERTTLTFLQNLEHLDGMVAP EVCPMETAAYVSSHSS

Ligand information Ligand ID MVL InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1 InChIKey RZRDQZQPTISYKY-JWXFUTCRSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 c1cn2c(n1)C(C(C(C2CO)O)O)O OpenEye OEToolkits 1.7.6 c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O CACTVS 3.385 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 ACDLabs 12.01 n1ccn2c1C(O)C(O)C(O)C2CO CACTVS 3.385 OC[CH]1[CH](O)[CH](O)[CH](O)c2nccn12 Formula C8 H12 N2 O4 Name (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL; Mannoimidazole ChEMBL CHEMBL1213397 DrugBank ZINC ZINC000003821680 PDB chain 3d4y Chain A Residue 1049 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3d4y Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen. Resolution 1.52 Å Binding residue (original residue number in PDB) H90 D92 W95 D204 F206 Y269 D341 W415 H471 D472 Y727 R876 Binding residue (residue number reindexed from 1) H61 D63 W66 D175 F177 Y240 D312 W386 H442 D443 Y698 R847 Annotation score 1 Binding affinity MOAD: Ki=2uM PDBbind-CN: -logKd/Ki=5.70,Ki=2uM

Enzymatic activity Catalytic site (original residue number in PDB) H90 D92 D204 D341 H471 Catalytic site (residue number reindexed from 1) H61 D63 D175 D312 H442 Enzyme Commision number 3.2.1.114: mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0004559 alpha-mannosidase activity GO:0004572 mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase activity GO:0015923 mannosidase activity GO:0016798 hydrolase activity, acting on glycosyl bonds GO:0030246 carbohydrate binding GO:0046872 metal ion binding

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0006013	mannose metabolic process
GO:0006486	protein glycosylation
GO:0006491	N-glycan processing
GO:0016063	rhodopsin biosynthetic process
GO:0035010	encapsulation of foreign target

	Cellular Component
GO:0000139	Golgi membrane
GO:0005783	endoplasmic reticulum
GO:0005794	Golgi apparatus
GO:0005795	Golgi stack
GO:0016020	membrane

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