Structure of PDB 4c21 Chain A Binding Site BS02

Receptor Information
>4c21 Chain A (length=587) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IQHPRIGIRPTIDGRRQGVRESLEVQTMNMAKSVADLISSTLKYPDGEPV
ECVISPSTIGRVPEAAASHELFKKSNVCATITVTPCWCYGSETMDMSPDI
PHAIWGFNGTERPGAVYLAAVLASHAQKGIPAFGIYGRDVQEASDTDIPE
DVKEKLLRYARAALATGLMRDTAYLSMGSVSMGIGGSIVNPDFFQEYLGM
RNESVDMTEFTRRMDRGIYDPEEFERALKWVKENVKEGFDHNREDLVLSR
EEKDRQWEFVIKMFMIGRDLMVGNPRLAELGFEEEAVGHHALVAGFQGQR
QWTDHFPNGDFMETFLNTQFDWNGIRKPFVFATENDSLNGVSMLFNYLLT
NTPQIFADVRTYWSPEAVKRVTGHTLEGRAAAGFLHLINSGSCTLDGTGQ
ATRDGKPIMKPFWELEESEVQAMLENTDFPPANREYFRGGGFSTRFLTKG
DMPVTMVRLNLLKGVGPVLQIAEGYTLELPEDVHHTLDNRTDPGWPTTWF
APRLTGKGAFKSVYDVMNNWGANHGAITYGHIGADLITLASMLRIPVNMH
NVPEEDIFRPKNWSLFGTEDLESADYRACQLLGPLHK
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 chain4c21 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c21 Structural and Functional Analysis of Fucose-Processing Enzymes from Streptococcus Pneumoniae.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		M183 Q300 E335 D359 S391 Y437 N524 H525
Binding residue
(residue number reindexed from 1)		M182 Q299 E334 D358 S390 Y436 N523 H524
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E335 D359 H525
Catalytic site (residue number reindexed from 1) E334 D358 H524
Enzyme Commision number 5.3.1.25: L-fucose 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: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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4c21, PDBe:4c21, PDBj:4c21
PDBsum4c21
PubMed24333485
UniProtQ97N97|FUCI_STRPN L-fucose isomerase (Gene Name=fucI)

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