Structure of PDB 2v4c Chain A Binding Site BS01

Receptor Information
>2v4c Chain A (length=309) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADYDLKFGMNAGTSSNEYKAAEMFAKEVKEKSQGKIEISLYPSSQLGDDR
AMLKQLKDGSLDFTFAESARFQLFYPEAAVFALPYVISNYNVAQKALFDT
EFGKDLIKKMDKDLGVTLLSQAYNGTRQTTSNRAINSIADMKGLKLRVPN
AATNLAYAKYVGASPTPMAFSEVYLALQTNAVDGQENPLAAVQAQKFYEV
QKFLAMTNHILNDQLYLVSNETYKELPEDLQKVVKDAAENAAKYHTKLFV
DGEKDLVTFFEKQGVKITHPDLVPFKESMKPYYAEFVKQTGQKGESALKQ
IEAINPHHH
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 chain2v4c Chain A Residue 1310 [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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PDB2v4c Water networks can determine the affinity of ligand binding to proteins.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D49 E67 R127 R147 F170 N187
Binding residue
(residue number reindexed from 1)		D49 E67 R127 R147 F170 N187
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
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Cellular Component
External links
PDB RCSB:2v4c, PDBe:2v4c, PDBj:2v4c
PDBsum2v4c
PubMed31518131
UniProtP44542|SIAP_HAEIN Sialic acid-binding periplasmic protein SiaP (Gene Name=siaP)

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