Structure of PDB 3s1s Chain A Binding Site BS02

Receptor Information
>3s1s Chain A (length=870) Species: 1408 (Bacillus pumilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNNCVFSYLPSYGDDEVSVYHPICEAALNQALVNTGLDSTYEVVHHELVG
SIEADFVIKNKQTKKYLLIVEVKRTKSQVSSTRYRLQAQSYVREANIKVE
QHYYCLTNLEIIDFFKHDPNKPVVSQQIIEPSPIVVGNFSDTVSEFYNRL
VEAFQNIIDISVNDAGTYKSSTANLVDILENRKDNSTSWHQALVVAGYEY
IRGVLRGQNVEVPTRDAIYFKSRPGRLLEEGRKIDFNVLFSEPEPNTNDN
DIWNVNLLSSLNDLGRRILTGDELAELIHDIATRGRGHEGVVPTDIELGK
VLSIISQHILGRPLTEDEVISDPAAGSGNLLATVSAGFNNVMPRQIWAND
IETLFLELLSIRLGLLFPQLVSSNNAPTITGEDVCSLNPEDFANVSVVVM
NPPYVSGVTDPAIKRKFAHKIIQLTGNRPQTLFGQIGVEALFLELVTELV
QDGTVISAIMPKQYLTAQGNESKAFREFLVGNFGLEHIFLYPREGLFEEV
IKDTVVFVGRKGSSVEEIEVLDSFTPLEQVDLHNLKRALSNSSNEQIIQP
MGMELRKEKREELENRVTVGWRHITSNGRVAEEWITNNLESHCIRLVASD
YDLRRGRVGNKGASDLLFINSKKKLWDLLDESVPRDWLYPALRKVNEINT
PIFNEDATPVRFLCPPNSAYQDGTGESIILDKILDVYVDFQVYKSKQKKF
EKSKEELKEILYKESDFYSSEHTVFIPRALRRSARAFINEQKVFCSTNAL
EVFGGNSEEMWLLLSWLSSVFAQLQFEAMAKDQEGERKLEKKSIQNLYIP
NLGDIDDVLKQDLIEEVREIHFFDLCRPRVRKLDLLWAKVFWSGNEMSKT
KEAAELLEDLVFERYPEGSQ
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3s1s Chain A Residue 930 [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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PDB3s1s Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		E21 D60 E76 V77
Binding residue
(residue number reindexed from 1)		E16 D55 E71 V72
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.72: site-specific DNA-methyltransferase (adenine-specific).
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0008168 methyltransferase activity
GO:0008170 N-methyltransferase activity
GO:0009007 site-specific DNA-methyltransferase (adenine-specific) activity
GO:0046872 metal ion binding
Biological Process
GO:0009307 DNA restriction-modification system
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3s1s, PDBe:3s1s, PDBj:3s1s
PDBsum3s1s
PubMed21724614
UniProtG1K3S1

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