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Receptor Information

>1qx1 Chain A (length=1014) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

CQDVVQDVPNVDVQMLELYDRMSFKDIDGGVWKQGWNIKYDPLKYNAHHK
LKVFVVPHSHNDPGWIQTFEEYYQHDTKHILSNALRHLHDNPEMKFIWAE
ISYFARFYHDLGENKKLQMKSIVKNGQLEFVTGGWVMPDEANSHWRNVLL
QLTEGQTWLKQFMNVTPTASWAIDPFGHSPTMPYILQKSGFKNMLIQRTH
YSVKKELAQQRQLEFLWRQIWDNKGDTALFTHMMPFYSYDIPHTCGPDPK
VCCQFDFKRMGSFGLSCPWKVPPRTISDQNVAARSDLLVDQWKKKAELYR
TNVLLIPLGDNFRFKQNTEWDVQRVNYERLFEHINSQAHFNVQAQFGTLQ
EYFDAVHQAERAGQAEFPTLSGDFFTYADRSDNYWSGYYTSRPYHKRMDR
VLMHYVRAAEMLSAWHSWDGMARIEERLEQARRELSLFQHHDGITGTAKT
HVVVDYEQRMQEALKACQMVMQQSVYRLLTKPSIYSPDFSFSYFTLDDSR
WPGSGVEDSRTTIILGEDILPSKHVVMHNTLPHWREQLVDFYVSSPFVSV
TDLANNPVEAQVSPVWSWHHDTLTKTIHPQGSTTKYRIIFKARVPPMGLA
TYVLTISDSKPEHTSYASNLLLRKNPTSLPLGQYPEDVKFGDPREISLRV
GNGPTLAFSEQGLLKSIQLTQDSPHVPVHFKFLKYGVRSHGDRSGAYLFL
PNGPASPVELGQPVVLVTKGKLESSVSVGLPSVVHQTIMRGGAPEIRNLV
DIGSLDNTEIVMRLETHIDSGDIFYTDLNGLQFIKRRRLDKLPLQANYYP
IPSGMFIEDANTRLTLLTGQPLGGSSLASGELEIMQDRRLASDDERGLGQ
GVLDNKPVLHIYRLVLEKVNNCVRPSKLHPAGYLTSAAHKASQSLLDPLD
KFIFAENEWIGAQGQFGGDHPSAREDLDVSVMRRLTKSSAKTQRVGYVLH
RTNLMQCGTPEEHTQKLDVCHLLPNVARCERTTLTFLQNLEHLDGMVAPE
VCPMETAAYVSSHS

Ligand ID

FMF

InChI

InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6?/m1/s1

InChIKey

YZRDPODBASCWCK-CBPJZXOFSA-N

SMILES

Software	SMILES
CACTVS 3.341	OC[CH]1O[CH](F)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O
CACTVS 3.341	OC[C@H]1O[C@@H](F)[C@@H](F)[C@@H](O)[C@@H]1O
ACDLabs 10.04	FC1C(O)C(O)C(OC1F)CO
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)F)F)O)O)O

Formula

C6 H10 F2 O4

Name

2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride;
2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE;
2-DEOXY-2-FLUORO-ALPHA-D-MANNOSYL FLUORIDE;
2-deoxy-2-fluoro-beta-D-mannosyl fluoride;
2-deoxy-2-fluoro-D-mannosyl fluoride;
2-deoxy-2-fluoro-mannosyl fluoride

PDB chain

1qx1 Chain A Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1qx1 Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates.
Resolution	1.3 Å
Binding residue (original residue number in PDB)	H90 D92 W95 D204 F206 R228 W415 H471 D472 Y727 R876
Binding residue (residue number reindexed from 1)	H60 D62 W65 D174 F176 R198 W385 H441 D442 Y697 R846
Annotation score	2
Binding affinity	PDBbind-CN: -logKd/Ki=2.12,Ki=7.5mM

Catalytic site (original residue number in PDB)	H90 D92 D204 N341 H471
Catalytic site (residue number reindexed from 1)	H60 D62 D174 N311 H441
Enzyme Commision number	3.2.1.114: mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase.

	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

PDB	RCSB:1qx1, PDBe:1qx1, PDBj:1qx1
PDBsum	1qx1
PubMed	12960159
UniProt	Q24451\|MAN2_DROME Alpha-mannosidase 2 (Gene Name=alpha-Man-IIa)

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Structure of PDB 1qx1 Chain A Binding Site BS02