Structure of PDB 5xqg Chain B Binding Site BS02

Receptor Information
>5xqg Chain B (length=896) Species: 5076 (Penicillium chrysogenum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NCTSSSATVHWLGDKPTYHAGVTFGLPWPQGKYRPQETSFSLTLQSWATG
YWADGSLKWTAHAIAESNQIYDQYTVTASSLGCVKSSSSSSESSAPNSSI
VVTDNSDALTVNTGEVAVSFPKGGNVIIGDIKTKSGKVIGANGRLVLQSQ
DSVPDNFDNRANSPIQYSNFDGNINEVFVNQTSARTLVTVRGNHTVTDGT
DHDPWLPFVVRFYLYANSATIKVMHSIVFDGDENDFITGLGIRFDVPLKG
EEYYDRHIRFAGVDGGIFNEAVQGITGLRRDPGEEIRAAQFAGQKLADTE
TWEPRVSTRLKWIPTWADYGLTQLTADGFGLKKRTKAGQSWVNIPSGTRA
EGLAYLGGATQGGLAVGLRDFWKRYPVGLDISNAASDTGELTLWLYSPAA
EPLDLRPFHDGLGQDGYEDQLDALEITYEDWEPGFDTPYGIARTSEVYLF
AFDQTPTSDKLASLTAYMNDPPVLVAEPKYIHETQALGEYWALPSASPAA
ATLEDRLQFIFDFYKGQIEQRRWYGFLDYGDFMHTYDPDRHTWRYDVGGY
AWDNSELSPDLFFWLYFLRTGSKDAYRFAEALTRHTGEVDVYHIGDWKGL
GTRHGVQHWSDSAKQARISQPQYRKYFFYLSGGDERVGELLEELLDTDKT
YGELDPQRKVRTDGWEPSPNSTVSFGLGTDWSGLAAGWLIEWERRGPRWE
EAKTKLTNTIAGIANLTNGFVTGSGLYDPVTWTLGPPPSDPGNRGNVSIS
HLNAVFGLPEVVSEAIAYLADDIPKGFKQAWLDYCYYYHASASEQKDRYG
VSFSKISLLQAHSRLAAYAAYETKNKTLALRAWKDFYASDGLLPDAPWNI
THVDGSDVLVPVDEAAWLATNDIAQYGLAVIQNLAYVSDSLDDYQS
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 chain5xqg Chain J 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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PDB5xqg Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
Resolution2.74 Å
Binding residue
(original residue number in PDB)		Y458 E587 R634 H635 R648 L783
Binding residue
(residue number reindexed from 1)		Y428 E556 R603 H604 R617 L752
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:5xqg, PDBe:5xqg, PDBj:5xqg
PDBsum5xqg
PubMed29574769
UniProtB6H7Q7

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