Structure of PDB 1hl9 Chain B Binding Site BS01

Receptor Information
>1hl9 Chain B (length=427) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYKPDWESLREHTVPKWFDKAKFGIFIHWGIYSVPGWATPDAWFFQNPYA
EWYENSLRIKESPTWEYHVKTYGENFEYEKFADLFTAEKWDPQEWADLFK
KAGAKYVIPTTKHHDGFCLWGTKYTDFNSVKRGPKRDLVGDLAKAVREAG
LRFGVYYSGGLDWRFTTEPIRYPEDLSYIRPNTYEYADYAYKQVMELVDL
YLPDVLWNDMGWPEKGKEDLKYLFAYYYNKHPEGSVNDRWGVPHWDFKTA
EYHLPGYKWEFTRGIGLSFGYNRNEGPEHMLSVEQLVYTLVDVVSKGGNL
LLNVGPKGDGTIPDLQKERLLGLGEWLRKYGDAIYGTSVWERCCAKTEDG
TEIRFTRKCNRIFVIFLGIPTGEKIVIEDLNLSAGTVRHFLTGERLSFKN
VGKNLEITVPKKLLETDSITLVLEAVE
Ligand information
Ligand IDFUF
InChIInChI=1S/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5-,6-/m0/s1
InChIKeyIRKXGKIPOMIQOD-QYESYBIKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@H](O)[C@@H](F)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O
ACDLabs 10.04FC1C(O)C(O)C(OC1O)C
CACTVS 3.341C[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)F)O)O
FormulaC6 H11 F O4
Name2-deoxy-2-fluoro-beta-L-fucopyranose;
2,6-DIDEOXY-2-FLUORO-BETA-L-LYXO-HEXOPYRANOSE;
2,6-dideoxy-2-fluoro-beta-L-galactopyranose;
2-deoxy-2-fluoro-beta-L-fucose;
2-deoxy-2-fluoro-L-fucose;
2-deoxy-2-fluoro-fucose
ChEMBL
DrugBank
ZINCZINC000006499605
PDB chain1hl9 Chain B Residue 1449 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hl9 Crystal Structure of Thermotoga Maritima {Alpha}-L-Fucosidase: Insights Into the Catalytic Mechanism and the Molecular Basis for Fucosidosis
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H34 E66 W67 H128 H129 D224 R254 E266 F290
Binding residue
(residue number reindexed from 1)		H28 E51 W52 H113 H114 D209 R239 E251 F269
Annotation score3
Enzymatic activity
Enzyme Commision number 3.2.1.51: alpha-L-fucosidase.
Gene Ontology
Molecular Function
GO:0004560 alpha-L-fucosidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006004 fucose metabolic process
GO:0016139 glycoside catabolic process
Cellular Component
GO:0005764 lysosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hl9, PDBe:1hl9, PDBj:1hl9
PDBsum1hl9
PubMed14715651
UniProtQ9WYE2

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