Structure of PDB 3cmu Chain A Binding Site BS03

Receptor Information

>3cmu Chain A (length=1937) Species: 83333 (Escherichia coli K-12)

VETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQRE
GKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSG
AVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSN
TLLIFINQIRMKIGVMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGEN
VVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEK
AGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLAIDENKQK
ALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPM
GRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLG
VDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGE
IGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKIGVMFGNPET
TTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQA
EFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAW
LKDNPETAKEIEKKVRELLLSNPNSAIDENKQKALAAALGQIEKQFGKGS
IMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTL
TLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQA
LEICDALARSGAVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMSQAM
RKLAGNLKQSNTLLIFINQIRMKIGVMFGNPETTTGGNALKFYASVRLDI
RRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELV
DLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRE
LLLSNPNSAIDENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETIST
GSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAF
IDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIV
VDSVAALTPKAEIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFI
NQIRMKIGVMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSET
RVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYS
YKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLSNPNSAIDENKQKA
LAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMG
RIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGV
DIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGEI
GDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKIGVMFGNPETT
TGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAE
FQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWL
KDNPETAKEIEKKVRELLLSNPNSAIDENKQKALAAALGQIEKQFGKGSI
MRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLT
LQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQAL
EICDALARSGAVDVIVVDSVAALTPKAEIEMGLAARMMSQAMRKLAGNLK
QSNTLLIFINQIRNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSE
TRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWY
SYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLL

Ligand information

• Ligand ID: ALF
• InChI: InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4
• InChIKey: UYOMQIYKOOHAMK-UHFFFAOYSA-J
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: F[Al-](F)(F)F
• Formula: Al F4
• Name: TETRAFLUOROALUMINATE ION
• DrugBank: DB04444
• PDB chain: 3cmu Chain A Residue 1501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3cmu Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures.
• Resolution: 4.2 Å
• Binding residue (original residue number in PDB): E1068 K1072 E1096 F2217 K2248 K2250
• Binding residue (residue number reindexed from 1): E360 K364 E388 F842 K873 K875
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003684 damaged DNA binding
• GO:0003697 single-stranded DNA binding
• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0008094 ATP-dependent activity, acting on DNA
• GO:0016887 ATP hydrolysis activity
• GO:0140297 DNA-binding transcription factor binding
• GO:0140664 ATP-dependent DNA damage sensor activity

Biological Process

• GO:0000725 recombinational repair
• GO:0006259 DNA metabolic process
• GO:0006281 DNA repair
• GO:0006310 DNA recombination
• GO:0006974 DNA damage response
• GO:0009432 SOS response
• GO:0010212 response to ionizing radiation
• GO:0019985 translesion synthesis
• GO:0035825 homologous recombination
• GO:0048870 cell motility

Cellular Component

• GO:0005737 cytoplasm
• GO:0009355 DNA polymerase V complex

External links

• PDB: RCSB:3cmu, PDBe:3cmu, PDBj:3cmu
• PDBsum: 3cmu
• PubMed: 18497818
• UniProt: P0A7G6|RECA_ECOLI Protein RecA (Gene Name=recA)