Structure of PDB 4mmh Chain A Binding Site BS01

Receptor Information
>4mmh Chain A (length=637) Species: 984 (Pedobacter heparinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITRKDFDHINLEYSGLEKVNKAVAAGNYDDAAKALLAYYREKSKAREPDF
SNAEKPADIRQPIDKVTREMADKALVHQFQPHKGYGYFDYGKDINWQMWP
VKDNEVRWQLHRVKWWQAMALVYHATGDEKYAREWVYQYSDWARKNPLGL
SQDNDKFVWRPLEVSDRVQSLPPTFSLFVNSPAFTPAFLMEFLNSYHQQA
DYLSTHYAEQGNHRLFEAQRNLFAGVSFPEFKDSPRWRQTGISVLNTEIK
KQVYADGMQFELSPIYHVAAIDIFLKAYGSAKRVNLEKEFPQSYVQTVEN
MIMALISISLPDYNTPMFGDSWITDKNFRMAQFASWARVFPANQAIKYFA
TDGKQGKAPNFLSKALSNAGFYTFRSGWDKNATVMVLKASPPGEFHAQPD
NGTFELFIKGRNFTPDAGVFVYSGDEAIMKLRNWYRQTRIHSTLTLDNQN
MVITKARQNKWETGNNLDVLTYTNPSYPNLDHQRSVLFINKKYFLVIDRA
IGEATGNLGVHWQLKEDSNPVFDKTKNRVYTTYRDGNNLMIQSLNADRTS
LNEEEGKVSYVYNKELKRPAFVFEKPKKNAGTQNFVSIVYPYDGQKAPEI
SIRENKGNDFEKGKLNLTLTINGKQQLVLVPLEHHHH
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 chain4mmh Chain A Residue 701 [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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PDB4mmh Crystal Structure of Pedobacter heparinus Heparin Lyase Hep III with the Active Site in a Deep Cleft
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H241 E245
Binding residue
(residue number reindexed from 1)		H213 E217
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:4mmh, PDBe:4mmh, PDBj:4mmh
PDBsum4mmh
PubMed24437462
UniProtQ59289|HEPC_PEDHD Heparin-sulfate lyase (Gene Name=hepC)

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