Structure of PDB 4beb Chain D Binding Site BS01

Receptor Information
>4beb Chain D (length=833) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFIVLDKYIKAEPTGDSYQSESDLERELIQDLRNQGYEFISVKSQSAMLA
NVREQLQNLNGVVFNDSEWRRFTEQYLDNPSDGILDKTRKIHIDYICDFI
FDDERLENIYLIDKKNLMRNKVQIIQQFRYDVTILVNGLPLVQIELKKRG
VAIREAFNQINSLFKYLQLFVISNGTDTRYFANTTKRDENSFDFTMNWAK
SDNTLIKDLKDFTATCFQKHTLLNVLVNYSVFDSSQTLLVMRPYQIAATE
RILWKIKSSFTAKNWSKPESGGYIWHTTGSGKTLTSFKAARLATELDFID
KVFFVVDRKDLDYQTMKEYQRFSPDSVNGSENTAGLKRNLDKDDNKIIVT
TIQKLNNLMKAESDLPVYNQQVVFIFDECHRSQFGEAQKNLKKKFKRYYQ
FGFTGTPIFPENALGSETTASVFGRELHSYVITDAIRDEKVLKFKVDYND
VRPQFKSLETETDEKKLSAAENQQAFLHPMRIQEITQYILNNFRQKTHRT
FPGSKGFNAMLAVSSVDAAKAYYATFKRLQEEAANKSATYKPLRIATIFS
FAEISDETFDTSAMDSSAKEFLDAAIREYNSHFKTNFSTDSNGFQNYYRD
LAQRVKNQDIDLLIVVGMFLTGFDAPTLNTLFVDKNLRYHGLMQAFSRTN
RIYDATKTFGNIVTFRDLERSTIDAITLFGDKNTKNVVLEKSYTEYMEGF
TDAATGEAKRGFMTVVSELEQRFPDPTSIESEKEKKDFVKLFGEYLRAEN
ILQNYDEFATLKALQQIDLSDPVAVEKFKAEHYVDDEKFAELQTIRLPAD
RKIQDYRSAYNDIRDWQRRTDWDDVVFEVDLLK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4beb Chain D Residue 1885 [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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PDB4beb Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme.
Resolution2.989 Å
Binding residue
(original residue number in PDB)		D408 E409
Binding residue
(residue number reindexed from 1)		D377 E378
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.3: type I site-specific deoxyribonuclease.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004519 endonuclease activity
GO:0005524 ATP binding
GO:0009035 type I site-specific deoxyribonuclease activity
Biological Process
GO:0006304 DNA modification
GO:0009307 DNA restriction-modification system

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Molecular Function
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Biological Process
External links
PDB RCSB:4beb, PDBe:4beb, PDBj:4beb
PDBsum4beb
PubMed26039067
UniProtP10486|T1R1_ECOLX Type I restriction enzyme EcoR124I/EcoR124II endonuclease subunit (Gene Name=hsdR)

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