Structure of PDB 4mmi Chain A Binding Site BS02

Receptor Information
>4mmi Chain A (length=636) Species: 984 (Pedobacter heparinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTRKDFDHINLEYSGLEKVNKAVAAGNYDDAAKALLAYYREKSKAREPDF
SNAEKPADIRQPIDKVTREMADKALVHQFQPHKGYGYFDYGKDINWQMWP
VKDNEVRWQLHRVKWWQAMALVYHATGDEKYAREWVYQYSDWARKNPLGL
SQDNDKFVWRPLEVSDRVQSLPPTFSLFVNSPAFTPAFLMEFLNSYHQQA
DYLSTHYAEQGNHRLFEAQRNLFAGVSFPEFKDSPRWRQTGISVLNTEIK
KQVYADGMQFELSPIYHVAAIDIFLKAYGSAKRVNLEKEFPQSYVQTVEN
MIMALISISLPDYNTPMFGDSWITDKNFRMAQFASWARVFPANQAIKYFA
TDGKQGKAPNFLSKALSNAGFYTFRSGWDKNATVMVLKASPPGEFHAQPD
NGTFELFIKGRNFTPDAGVFVYSGDEAIMKLRNWYRQTRIHSTLTLDNQN
MVITKARQNKWETGNNLDVLTYTNPSYPNLDHQRSVLFINKKYFLVIDRA
IGEATGNLGVHWQLKEDSNPVFDKTKNRVYTTYRDGNNLMIQSLNADRTS
LNEEEGKVSYVYNKELKRPAFVFEKPKKNAGTQNFVSIVYPYDGQKAPEI
SIRENKGNDFEKGKLNLTLTINGKQQLVSVPLEHHH
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 chain4mmi Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mmi Crystal Structure of Pedobacter heparinus Heparin Lyase Hep III with the Active Site in a Deep Cleft
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q426 D444 H469
Binding residue
(residue number reindexed from 1)		Q398 D416 H441
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.8: heparin-sulfate lyase.
Gene Ontology
Molecular Function
GO:0015021 heparin-sulfate lyase activity
GO:0016829 lyase activity
Biological Process
GO:0030200 heparan sulfate proteoglycan catabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4mmi, PDBe:4mmi, PDBj:4mmi
PDBsum4mmi
PubMed24437462
UniProtQ59289|HEPC_PEDHD Heparin-sulfate lyase (Gene Name=hepC)

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