Structure of PDB 6lja Chain A Binding Site BS02

Receptor Information
>6lja Chain A (length=841) Species: 471870 (Bacteroides intestinalis DSM 17393) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVIKVSEETLMYEVRATPSPADGTYVKVNPPRFMWPDKFPHLGPVLDGVP
GQVDEKPKVVYRIRISQDKNFRKDVLTGERAWAFFNPFQCLAQGKWYWQH
AYVTPEGTEEWSPVYQFYIDKDTPEFNPPTLEKVLARYPSHHPRVLLDAD
DWENIIAKNNNNPEARTYMDKASQCISRPLKHLQEEIDTTNVVTLTNIVQ
RESALIRESRKIVDREEANVEALVRAYLLTKDEKYYREGINRLSEILSWQ
KSKYFAGDFNLSTLLSMSTSAYDGFYNLLSPEEKQLLLDNIRKIGDKFYN
EYVNHLENRIADNHVWQMTFRILTMAAFATVGEIPEASVWTDYCYNEWIS
RLPGLHKDGGWHNGDAYFHVNIRTLIEVPVFFSRISGFNFFADPWYNNNA
LYVIYQQPPFSKSGGHGNSHEGQRSPNGGRIGYADALARECNNPWAAAYV
HEIMQEDPDILSKAFEAKPADLTWYRCTTPKERPAYSKHLSELPESKVFK
QTGTALMNTDIGHHANNAMLSFRSSPYGSTSHALANQNAFNTFFGGKAIF
YSSGHRTGFTDDHCMYAYRNTRAHNSILVNGMGQKIGTEGYGWIPRYYEG
EEISYVVGDASNAYGKVVSPLWLERGRLSGTQFTPEKGWDENKLEFFRRH
VVQLGRSGLFVVYDELAGKEPVEWNYLLHTVELPMEVVKEEGGLRILGKN
KADGISIAHLYSSQEMTYAQTDTFFVAALDWKKRLGKALPNHYHFTATTA
PCNKVFFLNIIDVHGNNRADAVINHQGNHITVEGWVIECNLDSEGKAFLH
IENKQNGASLDFNYNSNKGATTIVDQVDGKRIEKRLVDSLP
Ligand information
Ligand IDUAP
InChIInChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4+,6+/m0/s1
InChIKeyVJIMUKBSNUBECH-YKKSOZKNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C(OC(C(C1O)OS(=O)(=O)O)O)C(=O)O
CACTVS 3.370O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
CACTVS 3.370O[C@@H]1OC(=C[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=C(O)C=1OC(O)C(OS(=O)(=O)O)C(O)C=1
OpenEye OEToolkits 1.7.6C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)C(=O)O
FormulaC6 H8 O9 S
Name4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid;
4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid;
4-deoxy-2-O-sulfo-L-threo-hex-4-enuronic acid;
4-deoxy-2-O-sulfo-threo-hex-4-enuronic acid
ChEMBL
DrugBankDB03981
ZINCZINC000005834516
PDB chain6lja Chain B 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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PDB6lja Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Resolution1.978 Å
Binding residue
(original residue number in PDB)		H337 Q340 Y390 H555 R579 G581 F582
Binding residue
(residue number reindexed from 1)		H314 Q317 Y367 H532 R556 G558 F559
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6lja, PDBe:6lja, PDBj:6lja
PDBsum6lja
PubMed33627653
UniProtB3C5J6

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