Structure of PDB 5xqj Chain E Binding Site BS02

Receptor Information
>5xqj Chain E (length=900) Species: 5076 (Penicillium chrysogenum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NCTSSSATVHWLGDKPTYHAGVTFGLPWPQGKYRPQETSFSLTGSELQSW
ATGYWADGSLKWTAHAIAESNQIYDQYTVTASSLGCVKSSSSSSESSAPN
SSIVVTDNSDALTVNTGEVAVSFPKGGNVIIGDIKTKSGKVIGANGRLVL
QSQDSVPDNFDNRANSPIQYSNFDGNINEVFVNQTSARTLVTVRGNHTVT
DGTDHDPWLPFVVRFYLYANSATIKVMHSIVFDGDENDFITGLGIRFDVP
LKGEEYYDRHIRFAGVDGGIFNEAVQGITGLRRDPGEEIRAAQFAGQKLA
DTETWEPRVSTRLKWIPTWADYGLTQLTADGFGLKKRTKAGQSWVNIPSG
TRAEGLAYLGGATQGGLAVGLRDFWKRYPVGLDISNAASDTGELTLWLYS
PAAEPLDLRPFHDGLGQDGYEDQLDALEITYEDWEPGFDTPYGIARTSEV
YLFAFDQTPTSDKLASLTAYMNDPPVLVAEPKYIHETQALGEYWALPGSA
SPAAATLEDRLQFIFDFYKGQIEQRRWYGFLDYGDFMHTYDPDRHTWRYD
VGGYAWDNSELSPDLFFWLYFLRTGSKDAYRFAEALTRHTGEVDVYHIGD
WKGLGTRHGVQHWSDSAKQARISQPQYRKYFFYLSGGDERVGELLEELLD
TDKTYGELDPQRKVRTDGWEPSPNSTVSFGLGTDWSGLAAGWLIEWERRG
PRWEEAKTKLTNTIAGIANLTNGFVTGSGLYDPVTWTLGPPPSDPGNRGN
VSISHLNAVFGLPEVVSEAIAYLADDIPKGFKQAWLDYCYYYHASASEQK
DRYGVSFSKISLLQAHSRLAAYAAYETKNKTLALRAWKDFYASDGLLPDA
PWNITHVDGSDVLVPVDEAAWLATNDIAQYGLAVIQNLAYVSDSLDDYQS
Ligand information
Ligand IDGAD
InChIInChI=1S/C6H8O5/c7-3-1-5(6(9)10)11-2-4(3)8/h1,3-4,7-8H,2H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyGQECVRZDTXJRPX-IMJSIDKUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1COC(=C[CH]1O)C(O)=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](C=C(O1)C(=O)O)O)O
CACTVS 3.341O[C@H]1COC(=C[C@@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C=1OCC(O)C(O)C=1
OpenEye OEToolkits 1.5.0C1C(C(C=C(O1)C(=O)O)O)O
FormulaC6 H8 O5
Name2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid
ChEMBL
DrugBankDB03284
ZINC
PDB chain5xqj Chain M 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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PDB5xqj Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Y458 E587 R634 H635 L783
Binding residue
(residue number reindexed from 1)		Y431 E560 R607 H608 L756
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5xqj, PDBe:5xqj, PDBj:5xqj
PDBsum5xqj
PubMed29574769
UniProtB6H7Q7

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