Structure of PDB 5xqj Chain B Binding Site BS03

Receptor Information
>5xqj 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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5xqj Chain B Residue 1003 [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)		D562 N585 H616 D621 H639
Binding residue
(residue number reindexed from 1)		D531 N554 H585 D590 H608
Annotation score4
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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