Structure of PDB 2wyp Chain A Binding Site BS01

Receptor Information
>2wyp Chain A (length=308) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADYDLKFGMNNGTSSNEYKAAEMFAKEVKEKSQGKIEISLYPSSQLGDDR
AMLKQLKDGSLDFTFAESARFQLFYPEAAVFALPYVISNYNVAQKALFDT
EFGKDLIKKMDKDLGVTLLSQAYNGTRQTTSNRAINSIADMKGLKLRVPN
AATNLAYAKYVGASPTPMAFSEVYLALQTNAVDGQENPLAAVQAQKFYEV
QKFLAMTNHILNDQLYLVSNETYKELPEDLQKVVKDAAENAAKYHTKLFV
DGEKDLVTFFEKQGVKITHPDLVPFKESMKPYYAEFVKQTGQKGESALKQ
IEAINPHH
Ligand information
Ligand IDKDN
InChIInChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
InChIKeyCLRLHXKNIYJWAW-YOQZMRDMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(O)C(O)C1
FormulaC9 H16 O9
Namedeamino-beta-neuraminic acid;
beta-deaminoneuraminic acid;
3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid;
sialic acid
ChEMBL
DrugBank
ZINCZINC000013436054
PDB chain2wyp Chain A Residue 1309 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2wyp Water networks can determine the affinity of ligand binding to proteins.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N10 D49 E67 R127 R147 F170 N187 H308
Binding residue
(residue number reindexed from 1)		N10 D49 E67 R127 R147 F170 N187 H308
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2wyp, PDBe:2wyp, PDBj:2wyp
PDBsum2wyp
PubMed31518131
UniProtP44542|SIAP_HAEIN Sialic acid-binding periplasmic protein SiaP (Gene Name=siaP)

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