Structure of PDB 2fuq Chain B Binding Site BS02

Receptor Information
>2fuq Chain B (length=747) Species: 984 (Pedobacter heparinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTKADVVWKDVDGVSMPIPPKTHPRLYLREQQVPDLKNRMNDPKLKKVWA
DMIKMQEDWKPADIPEVKDFRFYFNQKGLTVRVELMALNYLMTKDPKVGR
EAITSIIDTLETATFKPAGDISRGIGLFMVTGAIVYDWCYDQLKPEEKTR
FVKAFVRLAKMLECGYPPVKDKSIVGHASEWMIMRDLLSVGIAIYDEFPE
MYNLAAGRFFKEHLVARNWFYPSHNYHQGMSYLNVRFTNDLFALWILDRM
GAGNVFNPGQQFILYDAIYKRRPDGQILAGGDVDYSRKKPKYYTMPALLA
GSYYKDEYLNYEFLKDPNVEPHCKLFEFLWRDTQLGSRKPDDLPLSRYSG
SPFGWMIARTGWGPESVIAEMKVNEYSFLNHQHQDAGAFQIYYKGPLAID
AGSYTGSSGGYNSPHNKNFFKRTIAHNSLLIYDPKETFSSSGYGGSDHTD
FAANDGGQRLPGKGWIAPRDLKEMLAGDFRTGKILAQGFGPDNQTPDYTY
LKGDITAAYSAKVKEVKRSFLFLNLKDAKVPAAMIVFDKVVASNPDFKKF
WLLHSIEQPEIKGNQITIKRTKNGDSGMLVNTALLPDAANSNITSIGGKG
KDFWVFGTNYTNDPKPGTDEALERGEWRVEITPKKAAAEDYYLNVIQIAD
NTQQKLHEVKRIDGDKVVGVQLADRIVTFSKTSETVDRPFGFSVVGKGTF
KFVMTDLLPGTWQVLKDGKILYPALSAKGDDGALYFEGTEGTYRFLR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2fuq Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fuq Crystal Structure of Heparinase II from Pedobacter heparinus and Its Complex with a Disaccharide Product.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H408 D425 H451
Binding residue
(residue number reindexed from 1)		H383 D400 H426
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.7: heparin lyase.
4.2.2.8: heparin-sulfate lyase.
Gene Ontology
Molecular Function
GO:0008201 heparin binding
GO:0015021 heparin-sulfate lyase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0047488 heparin lyase activity
Biological Process
GO:0030211 heparin 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:2fuq, PDBe:2fuq, PDBj:2fuq
PDBsum2fuq
PubMed16565082
UniProtC6XZB6|HEPB_PEDHD Heparin and heparin-sulfate lyase (Gene Name=hepB)

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