Structure of PDB 1apb Chain A Binding Site BS02

Receptor Information
>1apb Chain A (length=305) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLKLGFLVKQPEEPWFQTEWKFADKAGKDLGFEVIKIAVPDGEKTLNAID
SLAASGAKGFVICTPDPKLGSAIVAKARGYDMKVIAVDDQFVNAKGKPMD
TVPLVMMAATKIGERQGQELYKEMQKRGWDVKESAVMAITANELDTARRR
TTGSMDALKAAGFPEKQIYQVPTKSNDIPGAFDAANSMLVQHPEVKHWLI
VGMNDSTVLGGVRATEGQGFKAADIIGIGINGVDAVSELSKAQATGFYGS
LLGSPDVHGYKSSEMLYNWVAKDVEPPKFTEVTDVVLITRDNFKEELEKK
GLGGK
Ligand information
Ligand IDFCB
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1
InChIKeySHZGCJCMOBCMKK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namebeta-D-fucopyranose;
beta-D-fucose;
6-deoxy-beta-D-galactopyranose;
D-fucose;
fucose
ChEMBL
DrugBankDB04062
ZINCZINC000001532816
PDB chain1apb Chain A Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1apb A Pro to Gly mutation in the hinge of the arabinose-binding protein enhances binding and alters specificity. Sugar-binding and crystallographic studies.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		K10 E14 W16 D90 R151 N232
Binding residue
(residue number reindexed from 1)		K9 E13 W15 D89 R150 N231
Annotation score4
Binding affinityMOAD: Kd=1.51uM
PDBbind-CN: -logKd/Ki=5.82,Kd=1.51uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015407 ABC-type monosaccharide transporter activity
GO:0030246 carbohydrate binding
GO:0048029 monosaccharide binding
Biological Process
GO:0042882 L-arabinose transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1apb, PDBe:1apb, PDBj:1apb
PDBsum1apb
PubMed2204627
UniProtP02924|ARAF_ECOLI L-arabinose-binding periplasmic protein (Gene Name=araF)

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