Structure of PDB 4c22 Chain B Binding Site BS03

Receptor Information
>4c22 Chain B (length=604) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHSSGLVPRGSHMASIQHPRIGIRPTIDGRRQGVRESLEVQTMNMAKS
VADLISSTLKYPDGEPVECVISPSTIGRVPEAAASHELFKKSNVCATITV
TPCWCYGSETMDMSPDIPHAIWGFNGTERPGAVYLAAVLASHAQKGIPAF
GIYGRDVQEASDTDIPEDVKEKLLRYARAALATGLMRDTAYLSMGSVSMG
IGGSIVNPDFFQEYLGMRNESVDMTEFTRRMDRGIYDPEEFERALKWVKE
NVKEGFDHNREDLVLSREEKDRQWEFVIKMFMIGRDLMVGNPRLAELGFE
EEAVGHHALVAGFQGQRQWTDHFPNGDFMETFLNTQFDWNGIRKPFVFAT
ENDSLNGVSMLFNYLLTNTPQIFADVRTYWSPEAVKRVTGHTLEGRAAAG
FLHLINSGSCTLDGTGQATRDGKPIMKPFWELEESEVQAMLENTDFPPAN
REYFRGGGFSTRFLTKGDMPVTMVRLNLLKGVGPVLQIAEGYTLELPEDV
HHTLDNRTDPGWPTTWFAPRLTGKGAFKSVYDVMNNWGANHGAITYGHIG
ADLITLASMLRIPVNMHNVPEEDIFRPKNWSLFGTEDLESADYRACQLLG
PLHK
Ligand information
Ligand IDCVU
InChIInChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1
InChIKeyQZNPNKJXABGCRC-LFRDXLMFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](O)[CH](O)[CH](O)C(=O)CO
CACTVS 3.385C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO
ACDLabs 12.01O=C(C(O)C(O)C(O)C)CO
OpenEye OEToolkits 1.7.6CC(C(C(C(=O)CO)O)O)O
OpenEye OEToolkits 1.7.6C[C@@H]([C@H]([C@H](C(=O)CO)O)O)O
FormulaC6 H12 O5
NameL-Fuculose open form;
6-deoxy-L-tagatose
ChEMBL
DrugBank
ZINCZINC000100028895
PDB chain4c22 Chain B Residue 1589 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c22 Structural and Functional Analysis of Fucose-Processing Enzymes from Streptococcus Pneumoniae.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Q300 E335 D359 S391 Y437 N524 H525
Binding residue
(residue number reindexed from 1)		Q316 E351 D375 S407 Y453 N540 H541
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E335 D359 H525
Catalytic site (residue number reindexed from 1) E351 D375 H541
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:4c22, PDBe:4c22, PDBj:4c22
PDBsum4c22
PubMed24333485
UniProtQ97N97|FUCI_STRPN L-fucose isomerase (Gene Name=fucI)

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