Structure of PDB 8b1r Chain B Binding Site BS01

Receptor Information
>8b1r Chain B (length=1170) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AETLDPLRLPLQGERLIEASAGTGKTFTIAALYLRLLLGLGGSAAFPRPL
TVEELLVVTFTEAATAELRGRIRSNIHELRIACLRETTDNPLYERLLEEI
DDKAQAAQWLLLAERQMDEAAVFTIHGFCQRMLNLNAFESGMLFEQQLIE
DESLLRYQACADFWRRHCYPLPREIAQVVFETWKGPQALLRDINRYLQGE
APVIKAPPPDDETLASRHAQIVARIDTVKQQWRDAVGELDALIESSGIDR
RKFNRSNQAKWIDKISAWAEEETNSYQLPESLEKFSQRFLEDRTKAGGET
PRHPLFEAIDQLLAEPLSIRDLVITRALAEIRETVAREKRRRGELGFDDM
LSRLDSALRSESGEVLAAAIRTRFPVAMIDEFQDTDPQQYRIFRRIWHHQ
PETALLLIGDPKQAIYAFRGADIFTYMKARSEVHAHYTLDTNWRSAPGMV
NSVNKLFSQTDDAFMFREIPFIPVKSAGKNQALRFVFKGETQPAMKMWLM
EGESCGVGDYQSTMAQVCAAQIRDWLQAGQRGEALLMNGDDARPVRASDI
SVLVRSRQEAAQVRDALTLLEIPSVYLSNRDSVFETLEAQEMLWLLQAVM
TPERENTLRSALATSMMGLNALDIETLNNDEHAWDVVVEEFDGYRQIWRK
RGVMPMLRALMSARNIAENLLATAGGERRLTDILHISELLQEAGTQLESE
HALVRWLSQHILEPDSNASSQQMRLESDKHLVQIVTIHKSKGLEYPLVWL
PFITNFRVQEQAFYHDRHSFEAVLDLNAAPESVDLAEAERLAEDLRLLYV
ALTRSVWHCSLGVAPLVRRRGDKKGDTDVHQSALGRLLQKGEPQDAAGLR
TCIEALCDDDIAWQTAQTGDNQPWQVNDVSTAELNAKTLQRLPGDNWRVT
SYSGLQQRGHGIAQDLMPRLDVDAAGVASVVEEPTLTPHQFPRGASPGTF
LHSLFEDLDFTQPVDPNWVREKLELGGFESQWEPVLTEWITAVLQAPLNE
TGVSLSQLSARNKQVEMEFYLPISEPLIASQLDTLIRQFDPLSAGCPPLE
FMQVRGMLKGFIDLVFRHEGRYYLLDYKSNWLGEDSSAYTQQAMAAAMQA
HRYDLQYQLYTLALHRYLRHRIADYDYEHHFGGVIYLFLRGVDKEHPQQG
IYTTRPNAGLIALMDEMFAG
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 chain8b1r Chain B Residue 1301 [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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PDB8b1r Structures of RecBCD in complex with phage-encoded inhibitor proteins reveal distinctive strategies for evasion of a bacterial immunity hub.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H956 D1067 D1080 Y1081
Binding residue
(residue number reindexed from 1)		H952 D1063 D1076 Y1077
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.11.5: exodeoxyribonuclease V.
5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0004520 DNA endonuclease activity
GO:0004527 exonuclease activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0008854 exodeoxyribonuclease V activity
GO:0015616 DNA translocase activity
GO:0016787 hydrolase activity
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0043138 3'-5' DNA helicase activity
GO:0046872 metal ion binding
Biological Process
GO:0000724 double-strand break repair via homologous recombination
GO:0000725 recombinational repair
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0009314 response to radiation
GO:0032508 DNA duplex unwinding
GO:0044355 clearance of foreign intracellular DNA
Cellular Component
GO:0005829 cytosol
GO:0009338 exodeoxyribonuclease V complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8b1r, PDBe:8b1r, PDBj:8b1r
PDBsum8b1r
PubMed36533901
UniProtP08394|RECB_ECOLI RecBCD enzyme subunit RecB (Gene Name=recB)

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