Structure of PDB 5hr4 Chain J Binding Site BS03

Receptor Information
>5hr4 Chain J (length=751) Species: 17 (Methylophilus methylotrophus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQDPINIKAAERMGKLHDTLKLVGYEGHALELYLVRLLFCLFAEDTTIF
EKSLFQEYIETKTLEDGSDLAHHINTLFYVLNTPEQKRLKNLDEHLAAFP
YINGKLFEEPLPPAQFDKAMREALLDLCSLDWSRISPAIFGSLFQSIMDA
KKRRNLGAHYTSEANILKLIKPLFLDELWVEFEKVKNNKNKLLAFHKKLR
GLTFFDPACGCGNFLVITYRELRLLEIEVLRGLHRGGQQVLDIEHLIQIN
VDQFFGIEIEEFPAQIAQVALWLTDHQMNMKISDEFGNYFARIPLKSTPH
ILNANALQIDWNDVLEAKKCCFILGNPPFVGKSKQTPGQKADLLSVFGNL
KSASDLDLVAAWYPKAAHYIQTNANIRCAFVSTNSITQGEQVSLLWPLLL
SLGIKINFAHRTFSWTNEASGVAAVHCVIIGFGLKDSDEKIIYEYESING
EPLAIKAKNINPYLRDGVDVIACKRQQPISKLPSMRYGNKPTDDGNFLFT
DEEKNQFITNEPSSEKYFRRFVGGDEFINNTSRWCLWLDGADISEIRAMP
LVLARIKKVQEFRLKSSAKPTRQSASTPMKFFYISQPDTDYLLIPETSSE
NRQFIPIGFVDRNVISSNATYHIPSAEPLIFGLLSSTMHNCWMRNVGGRL
ESRYRYSASLVYNTFPWIQPNEKQSKAIEEAAFAILKARSNYPNESLAGL
YDPKTMPSELLKAHQKLDKAVDSVYGFKGPNTEIARIAFLFETYQKMTSL
L
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5hr4 Chain J Residue 1001 [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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PDB5hr4 Structure of Type IIL Restriction-Modification Enzyme MmeI in Complex with DNA Has Implications for Engineering New Specificities.
Resolution2.5964 Å
Binding residue
(original residue number in PDB)		Q158 D201 C283 L285
Binding residue
(residue number reindexed from 1)		Q3 D46 C128 L130
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.72: site-specific DNA-methyltransferase (adenine-specific).
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:5hr4, PDBe:5hr4, PDBj:5hr4
PDBsum5hr4
PubMed27082731
UniProtB2MU09

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