Structure of PDB 3ma0 Chain C Binding Site BS01

Receptor Information
>3ma0 Chain C (length=306) Species: 511145 (Escherichia coli str. K-12 substr. MG1655) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKIGMAIDDLRLERWQKDRDIFVKKAESLGAKVFVQSANGNEETQMSQI
ENMINRGVDVLVIIPYNGQVLSNVVKEAKQEGIKVLAYDRMINDADIDFY
ISFDNEKVGELQAKALVDIVPQGNYFLMGGSPVDNNAKLFRAGQMKVLKP
YVDSGKIKVVGDQWVDGWLPENALKIMENALTANNNKIDAVVASNDATAG
GAIQALSAQGLSGKVAISGQDADLAGIKRIAAGTQTMTVYKPITLLANTA
AEIAVELGNGQEPKADTTLNNGLKDVPSRLLTPIDVNKNNIKDTVIKDGF
HKESEL
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain3ma0 Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ma0 Conformational changes and ligand recognition of Escherichia coli D-xylose binding protein revealed
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L14 R16 D90 R91 D135 N137 W169 N196 D222 K242
Binding residue
(residue number reindexed from 1)		L13 R15 D89 R90 D134 N136 W168 N195 D221 K241
Annotation score4
Binding affinityMOAD: Kd=0.13uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0048029 monosaccharide binding
Biological Process
GO:0015752 D-ribose transmembrane transport
GO:0015753 D-xylose transmembrane transport
GO:0042732 D-xylose metabolic process
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:3ma0, PDBe:3ma0, PDBj:3ma0
PDBsum3ma0
PubMed20678502
UniProtP37387|XYLF_ECOLI D-xylose-binding periplasmic protein (Gene Name=xylF)

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