Structure of PDB 4k3l Chain A Binding Site BS01

Receptor Information
>4k3l Chain A (length=353) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFTVEREHLLKPLQQVSPILGNLLLQVADGTLSLTGTDLEMEMVARVAL
VQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLS
TLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGML
FETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLDN
PLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGCDL
LKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSG
AEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAAYVVM
PMR
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain4k3l Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4k3l Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G174 R176 M362
Binding residue
(residue number reindexed from 1)		G165 R167 M350
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.96,IC50=1.1mM
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0005515 protein binding
GO:0008408 3'-5' exonuclease activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006271 DNA strand elongation involved in DNA replication
GO:0006974 DNA damage response
GO:0030174 regulation of DNA-templated DNA replication initiation
GO:0032297 negative regulation of DNA-templated DNA replication initiation
GO:0042276 error-prone translesion synthesis
GO:0044787 bacterial-type DNA replication
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009360 DNA polymerase III complex
GO:0030894 replisome
GO:1990078 replication inhibiting complex
GO:1990085 Hda-beta clamp complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4k3l, PDBe:4k3l, PDBj:4k3l
PDBsum4k3l
PubMed24090409
UniProtP0A988|DPO3B_ECOLI Beta sliding clamp (Gene Name=dnaN)

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