Structure of PDB 1abf Chain A Binding Site BS01

Receptor Information
>1abf 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
LLPSPDVHGYKSSEMLYNWVAKDVEPPKFTEVTDVVLITRDNFKEELEKK
GLGGK
Ligand information
Ligand IDFCA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
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
Namealpha-D-fucopyranose;
alpha-D-fucose;
6-deoxy-alpha-D-galactopyranose;
D-fucose;
fucose
ChEMBLCHEMBL609880
DrugBankDB03485
ZINCZINC000001532815
PDB chain1abf Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1abf Substrate specificity and affinity of a protein modulated by bound water molecules.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K10 E14 W16 D90 R151 M204 N205 N232
Binding residue
(residue number reindexed from 1)		K9 E13 W15 D89 R150 M203 N204 N231
Annotation score4
Binding affinityMOAD: Kd=3.8uM
PDBbind-CN: -logKd/Ki=5.42,Kd=3.8uM
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:1abf, PDBe:1abf, PDBj:1abf
PDBsum1abf
PubMed2818726
UniProtP02924|ARAF_ECOLI L-arabinose-binding periplasmic protein (Gene Name=araF)

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