Structure of PDB 1i8q Chain A Binding Site BS02

Receptor Information
>1i8q Chain A (length=814) Species: 1311 (Streptococcus agalactiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEHPQPVTTQIEKSVNTALNKNYVFNKADYQYTLTNPSLGKIVGGILYPN
ATGSTTVKISDKSGKIIKEVPLSVTASTEDNFTKLLDKWNDVTIGNYVYD
TNDSNMQKLNQKLDETNAKNIEAIKLDSNRTFLWKDLDNLNNSAQLTATY
RRLEDLAKQITNPHSTIYKNEKAIRTVKESLAWLHQNFYNVNKDIEGSAN
WWDFEIGVPRSITGTLSLMNNYFTDAEIKTYTDPIEHFVPDAEYFRKTLV
NPFKALGGNLVDMGRVKIIEGLLRKDNTIIEKTSHSLKNLFTTATKAEGF
YADGSYIDHTNVAYTGAYGNVLIDGLTQLLPIIQETDYKISNQELDMVYK
WINQSFLPLIVKGELMDMSRGRSISREAASSHAAAVEVLRGFLRLANMSN
EERNLDLKSTIKTIITSNKFYNVFNNLKSYSDIANMNKLLNDSTVATKPL
KSNLSTFNSMDRLAYYNAKKDFGFALSLHSKRTLNYEGMNDENTRGWYTG
DGMFYIYNSDQSHYSNHFWPTVNPYKMAGTTEKDAKREDTTKEFMSKHSK
DAKEKTGQVTGTSDFVGSVKLNDHFALAAMDFTNWDRTLTAQKGWVILND
KIVFLGSNIKNTNGIGNVSTTIDQRKDDSKTPYTTYVNGKTIDLKQASSQ
QFTDTKSVFLESKEPGRNIGYIFFKNSTIDIERKEQTGTWNSINRTSKNT
SIVSNPFITISQKHDNKGDSYGYMMVPNIDRTSFDKLANSKEVELLENSS
KQQVIYDKNSQTWAVIKHDNQESLINNQFKMNKAGLYLVQKVGNDYQNVY
YQPQTMTKTDQLAI
Ligand information
Ligand IDGC4
InChIInChI=1S/C6H10O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h2-4,6-8,11H,1H2,(H,9,10)/t2-,3-,4+,6+/m0/s1
InChIKeyOGDYCNQXUUBOMI-RFPGKLGKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1C[CH](O[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H](OC1C(=O)O)O)O)O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1
OpenEye OEToolkits 1.5.0C1C(C(C(OC1C(=O)O)O)O)O
CACTVS 3.341O[C@H]1C[C@H](O[C@@H](O)[C@@H]1O)C(O)=O
FormulaC6 H10 O6
Name4-deoxy-beta-D-glucopyranuronic acid;
4-DEOXY-D-GLUCURONIC ACID;
4-deoxy-beta-D-glucuronic acid;
4-deoxy-glucuronic acid
ChEMBL
DrugBankDB04548
ZINCZINC000005850963
PDB chain1i8q Chain C Residue 2 [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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PDB1i8q Hyaluronan binding and degradation by Streptococcus agalactiae hyaluronate lyase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N370 W371 R416
Binding residue
(residue number reindexed from 1)		N200 W201 R246
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N429 H479 Y488 R542 E657
Catalytic site (residue number reindexed from 1) N259 H309 Y318 R372 E487
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

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:1i8q, PDBe:1i8q, PDBj:1i8q
PDBsum1i8q
PubMed11527972
UniProtQ53591|HYSA_STRA3 Hyaluronate lyase (Gene Name=hylB)

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