Structure of PDB 1fui Chain D Binding Site BS02

Receptor Information
>1fui Chain D (length=591) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKISLPKIGIRPVIDGRRMGVRESLEEQTMNMAKATAALLTEKLRHACG
AAVECVISDTCIAGMAEAAACEEKFSSQNVGLTITVTPCWCYGSETIDMD
PTRPKAIWGFNGTERPGAVYLAAALAAHSQKGIPAFSIYGHDVQDADDTS
IPADVEEKLLRFARAGLAVASMKGKSYLSLGGVSMGIAGSIVDHNFFESW
LGMKVQAVDMTELRRRIDQKIYDEAELEMALAWADKNFRYGEDENNKQYQ
RNAEQSRAVLRESLLMAMCIRDMMQGNSKLADIGRVEESLGYNAIAAGFQ
GQRHWTDQYPNGDTAEAILNSSFDWNGVREPFVVATENDSLNGVAMLMGH
QLTGTAQVFADVRTYWSPEAIERVTGHKLDGLAEHGIIHLINSGSAALDG
SCKQRDSEGNPTMKPHWEISQQEADACLAATEWCPAIHEYFRGGGYSSRF
LTEGGVPFTMTRVNIIKGLGPVLQIAEGWSVELPKDVHDILNKRTNSTWP
TTWFAPRLTGKGPFTDVYSVMANWGANHGVLTIGHVGADFITLASMLRIP
VCMHNVEETKVYRPSAWAAHGMDIEGQDYRACQNYGPLYKR
Ligand information
Ligand IDFOC
InChIInChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChIKeySKCKOFZKJLZSFA-KCDKBNATSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0CC(C(C(C(CO)O)O)O)O
ACDLabs 10.04OC(C(O)C)C(O)C(O)CO
CACTVS 3.341C[CH](O)[CH](O)[CH](O)[CH](O)CO
FormulaC6 H14 O5
NameFUCITOL
ChEMBL
DrugBankDB03815
ZINCZINC000002575033
PDB chain1fui Chain D Residue 594 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fui Structure and mechanism of L-fucose isomerase from Escherichia coli.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Q302 E337 D361 S393 Y440
Binding residue
(residue number reindexed from 1)		Q302 E337 D361 S393 Y440
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E337 D361 H528
Catalytic site (residue number reindexed from 1) E337 D361 H528
Enzyme Commision number 5.3.1.25: L-fucose isomerase.
5.3.1.3: D-arabinose isomerase.
Gene Ontology
Molecular Function
GO:0008736 L-fucose isomerase activity
GO:0008790 arabinose isomerase activity
GO:0016853 isomerase activity
GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0006004 fucose metabolic process
GO:0019317 fucose catabolic process
GO:0019571 D-arabinose catabolic process
GO:0042355 L-fucose catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fui, PDBe:1fui, PDBj:1fui
PDBsum1fui
PubMed9367760
UniProtP69922|FUCI_ECOLI L-fucose isomerase (Gene Name=fucI)

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