Structure of PDB 4beb Chain A Binding Site BS01

Receptor Information
>4beb Chain A (length=839) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFIVLDKYIKAEPTGDSYQSESDLERELIQDLRNQGYEFISVKSQSAMLA
NVREQLQNLNGVVFNDSEWRRFTEQYLDNPSDGILDKTRKIHIDYICDFI
FDDERLENIYLIDKKNLMRNKVQIIQQFEQAGSHANRYDVTILVNGLPLV
QIELKKRGVAIREAFNQINSLFKYLQLFVISNGTDTRYFANTTKRDENSF
DFTMNWAKSDNTLIKDLKDFTATCFQKHTLLNVLVNYSVFDSSQTLLVMR
PYQIAATERILWKIKSSFTAKNWSKPESGGYIWHTTGSGKTLTSFKAARL
ATELDFIDKVFFVVDRKDLDYQTMKEYQRFSPDSVNGSENTAGLKRNLDK
DDNKIIVTTIQKLNNLMKAESDLPVYNQQVVFIFDECHRSQFGEAQKNLK
KKFKRYYQFGFTGTPIFPENALGSETTASVFGRELHSYVITDAIRDEKVL
KFKVDYNDVRPQFKSLETETDEKKLSAAENQQAFLHPMRIQEITQYILNN
FRQKTHRTFPGSKGFNAMLAVSSVDAAKAYYATFKRLQEEAANKSATYKP
LRIATIFSFAEISDETFDTSAMDSSAKEFLDAAIREYNSHFKTNFSTDSN
GFQNYYRDLAQRVKNQDIDLLIVVGMFLTGFDAPTLNTLFVDKNLRYHGL
MQAFSRTNRIYDATKTFGNIVTFRDLERSTIDAITLFGDKNTKNVVLEKS
YTEYMEGFTDAATGEAKRGFMTVVSELEQRFPDPTSIESEKEKKDFVKLF
GEYLRAENILQNYDEFATLKALQQIDLSDPVAVEKFKAEHYVDDEKFAEL
QTIRLPADRKIQDYRSAYNDIRDWQRRWDDVVFEVDLLK
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 A Residue 1885 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		T314 D408
Binding residue
(residue number reindexed from 1)		T291 D385
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

View graph for
Molecular Function
View graph for
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)

[Back to BioLiP]