Structure of PDB 1egu Chain A Binding Site BS01

Receptor Information
>1egu Chain A (length=721) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDTYTDRLDDWNGIIAGNQYYDSKNDQMAKLNQELEGKVADSLSSISSQA
DRIYLWEKFSNYKTSANLTATYRKLEEMAKQVTNPSSRYYQDETVVRTVR
DSMEWMHKHVYNSEKSIVGNWWDYEIGTPRAINNTLSLMKEYFSDEEIKK
YTDVIEKFVPDPEHFRKTTDNPFKALGGNLVDMGRVKVIAGLLRKDDQEI
SSTIRSIEQVFKLVDQGEGFYQDGSYIDHTNVAYTGAYGNVLIDGLSQLL
PVIQKTKNPIDKDKMQTMYHWIDKSFAPLLVNGELMDMSRGRSISRANSE
GHVAAVEVLRGIHRIADMSEGETKQRLQSLVKTIVQSDSYYDVFKNLKTY
KDISLMQSLLSDAGVASVPRTSYLSAFNKMDKTAMYNAEKGFGFGLSLFS
SRTLNYEHMNKENKRGWYTSDGMFYLYNGDLSHYSDGYWPTVNPYKMPGT
TETDAKRADSDTGKVLPSAFVGTSKLDDANATATMDFTNWNQTLTAHKSW
FMLKDKIAFLGSNIQNTSTDTAATTIDQRKLESSNPYKVYVNDKEASLTE
QEKDYPETQSVFLESSDSKKNIGYFFFKKSSISMSKALQKGAWKDINEGQ
SDKEVENEFLTISQAHKQNGDSYGYMLIPNVDRATFNQMIKELESSLIEN
NETLQSVYDAKQGVWGIVKYDDSVSTISNQFQVLKRGVYTIRKEGDEYKI
AYYNPETQESAPDQEVFKKQH
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1egu Chain A Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1egu Structural basis of hyaluronan degradation by Streptococcus pneumoniae hyaluronate lyase.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		H578 K581
Binding residue
(residue number reindexed from 1)		H408 K411
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N349 H399 Y408 R462 E577
Catalytic site (residue number reindexed from 1) N179 H229 Y238 R292 E407
Enzyme Commision number 4.2.2.1: hyaluronate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1egu, PDBe:1egu, PDBj:1egu
PDBsum1egu
PubMed10716923
UniProtQ54873|HYSA_STRPN Hyaluronate lyase (Gene Name=SP_0314)

[Back to BioLiP]