Structure of PDB 5xq3 Chain A Binding Site BS01

Receptor Information
>5xq3 Chain A (length=901) Species: 5076 (Penicillium chrysogenum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NCTSSSATVHWLGDKPTYHAGVTFGLPWPQGKYRPQETSFSLTGDTLQSW
ATGYWADGSLKWTAHAIAESNQIYDQYTVTASSLGCVKSSSSSSESSAPN
SSIVVTDNSDALTVNTGEVAVSFPKGGNVIIGDIKTKSGKVIGANGRLVL
QSQDSVPDNFDNRANSPIQYSNFDGNINEVFVNQTSARTLVTVRGNHTVT
DGTDHDPWLPFVVRFYLYANSATIKVMHSIVFDGDENDFITGLGIRFDVP
LKGEEYYDRHIRFAGVDGGIFNEAVQGITGLRRDPGEEIRAAQFAGQKLA
DTETWEPRVSTRLKWIPTWADYGLTQLTADGFGLKKRTKAGQSWVNIPSG
TRAEGLAYLGGATQGGLAVGLRDFWKRYPVGLDISNAASDTGELTLWLYS
PAAEPLDLRPFHDGLGQDGYEDQLDALEITYEDWEPGFDTPYGIARTSEV
YLFAFDQTPTSDKLASLTAYMNDPPVLVAEPKYIHETQALGEYWALPSAS
PAAATLEDRLQFIFDFYKGQIEQRRWYGFLDYGDFMHTYDPDRHTWRYDV
GGYAWDNSELSPDLFFWLYFLRTGSKDAYRFAEALTRHTGEVDVYHIGDW
KGLGTRHGVQHWSDSAKQARISQPQYRKYFFYLSGGDERVGELLEELLDT
DKTYGELDPQRKVRTDGWEPSPNSTVSFGLGTDWSGLAAGWLIEWERRGP
RWEEAKTKLTNTIAGIANLTNGFVTGSGLYDPVTWTLGPPPSDPGNRGNV
SISHLNAVFGLPEVVSEAIAYLADDIPKGFKQAWLDYCYYYHASASEQKD
RYGVSFSKISLLQAHSRLAAYAAYETKNKTLALRAWKDFYASDGLLPDAP
WNITHVDGSDVLVPVDEAAWLATNDIAQYGLAVIQNLAYVSDSLDDYQSL
E
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 chain5xq3 Chain A Residue 1001 [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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PDB5xq3 Crystal structure of exo-rhamnogalacturonan lyase from Penicillium chrysogenum as a member of polysaccharide lyase family 26
Resolution2.85 Å
Binding residue
(original residue number in PDB)		D562 N585 H616 D621 H639
Binding residue
(residue number reindexed from 1)		D534 N557 H588 D593 H611
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:5xq3, PDBe:5xq3, PDBj:5xq3
PDBsum5xq3
PubMed29574769
UniProtB6H7Q7

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