Structure of PDB 3e80 Chain C Binding Site BS03

Receptor Information
>3e80 Chain C (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 chain3e80 Chain C Residue 3 [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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PDB3e80 Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate.
Resolution2.35 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

View graph for
Molecular Function
External links
PDB RCSB:3e80, PDBe:3e80, PDBj:3e80
PDBsum3e80
PubMed20404324
UniProtC6XZB6|HEPB_PEDHD Heparin and heparin-sulfate lyase (Gene Name=hepB)

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