Structure of PDB 2fut Chain A Binding Site BS03

Receptor Information
>2fut Chain A (length=743) Species: 984 (Pedobacter heparinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVWKDVDGVSMPIPPKTHPRLYLREQQVPDLKNRMNDPKLKKVWADMIK
MQEDWKPADIPEVKDFRFYFNQKGLTVRVELMALNYLMTKDPKVGREAIT
SIIDTLETATFKPAGDISRGIGLFMVTGAIVYDWCYDQLKPEEKTRFVKA
FVRLAKMLECGYPPVKDKSIVGHASEWMIMRDLLSVGIAIYDEFPEMYNL
AAGRFFKEHLVARNWFYPSHNYHQGMSYLNVRFTNDLFALWILDRMGAGN
VFNPGQQFILYDAIYKRRPDGQILAGGDVDYSRKKPKYYTMPALLAGSYY
KDEYLNYEFLKDPNVEPHCKLFEFLWRDTQLGSRKPDDLPLSRYSGSPFG
WMIARTGWGPESVIAEMKVNEYSFLNHQHQDAGAFQIYYKGPLAIDAGSY
TGSSGGYNSPHNKNFFKRTIAHNSLLIYDPKETFSSSGYGGSDHTDFAAN
DGGQRLPGKGWIAPRDLKEMLAGDFRTGKILAQGFGPDNQTPDYTYLKGD
ITAAYSAKVKEVKRSFLFLNLKDAKVPAAMIVFDKVVASNPDFKKFWLLH
SIEQPEIKGNQITIKRTKNGDSGMLVNTALLPDAANSNITSIGGKGKDFW
VFGTNYTNDPKPGTDEALERGEWRVEITPKKAAAEDYYLNVIQIADNTQQ
KLHEVKRIDGDKVVGVQLADRIVTFSKTSETVDRPFGFSVVGKGTFKFVM
TDLLPGTWQVLKDGKILYPALSAKGDDGALYFEGTEGTYRFLR
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 chain2fut Chain A Residue 1 [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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PDB2fut Crystal Structure of Heparinase II from Pedobacter heparinus and Its Complex with a Disaccharide Product.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H408 D425 H451
Binding residue
(residue number reindexed from 1)		H379 D396 H422
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.7: heparin lyase.
4.2.2.8: heparin-sulfate lyase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:2fut, PDBe:2fut, PDBj:2fut
PDBsum2fut
PubMed16565082
UniProtC6XZB6|HEPB_PEDHD Heparin and heparin-sulfate lyase (Gene Name=hepB)

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