Structure of PDB 5npf Chain A

Receptor sequence
>5npfA (length=763) Species: 29329 (Thermoanaerobacterium xylanolyticum) [Search protein sequence]
DKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGA
GTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYA
GEPGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIP
YNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGN
FNKIIKDKSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVT
TGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVP
FALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKM
IDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGERTNNMFG
LLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEF
KVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKY
VLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIP
DQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIA
QQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDH
VQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYA
LASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRAS
MYMRPLSIWSMEV
3D structure
PDB5npf 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ChainA
Resolution1.38 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.2.1.45: glucosylceramidase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 CA A D575 D577 D579 I581 D583 D537 D539 D541 I543 D545
BS02 945 A E441 Y445 D452 H507 Y523 T591 D593 E777 R786 E403 Y407 D414 H469 Y485 T553 D555 E739 R748 PDBbind-CN: -logKd/Ki=4.24,IC50=58uM
Gene Ontology
Molecular Function
GO:0004348 glucosylceramidase activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006680 glucosylceramide catabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:5npf, PDBe:5npf, PDBj:5npf
PDBsum5npf
PubMed28776021
UniProtF6BL85

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