Structure of PDB 3e0d Chain A Binding Site BS03

Receptor Information
>3e0d Chain A (length=1148) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKFAHLHQHTQFSLLNGAAKLQDLLKWVKETTPEDPALAMTDHGNLFGAV
EFYKKATAMGVKPIIGYEAYVAAESRFDRKRGGYFHLTLLAKDFTGYQNL
VRLASRAYLEGFYEKPRIDREILREHAQGLIALSGCLGAEIPQFILQDRL
DLAEARLNEDLSIFGDRFFIEIQNHGLPEQKKVNQVLKEFARKYGLGMVA
TNNGHYVRKEDARAHEVLLAIQSKTTLDDPERWRFPCDEFYVKTPEEMRA
MLPEAEWGDEPFDNTVEIARMCDVDLPIGDKMVYRIPRFPLGRTEAQYLR
ELTFLGLLRRYPDRITEAFYREVLRLLDERALAEALARVEEKAWEELRKR
EWTAEAILHRALYELSVIERMGFPGYFLIVQDYINWARGHGVSVGPGRGS
AAGSLVAYAVGITNIDPLRFGLLFERFLNPERVSMPDIDTDFSDRERDRV
IQYVRERYGEDKVAQIGTFGSLASKAALKDVARVYGIPHKKAEELAKLIP
VQFGKPKPLQEAFEAEPELRAEMEKDERIRQVIEVAMRLEGLNRHASVHA
AGVVIAAEPLTDLVPLMRDQEGRPVTQYDMGAVEALGLLKMDFLGLRTLT
FLDEARRIVKESKGVELDYDRLPLDDPKTFELLSRGETKGVFQLESGGMT
ATVRGLKPRRLEDIIALVSLYRPGPMEHIPTYIRRHHGQEPVSYAEFPHA
EKYLRPILDETYGIPVYQEQIMQIASQVAGYSLGEADLLRRAMGKKRVEE
MQKHRERFVRGAKERGVPEEEANRLFDMLEAFANYGFNKSHAAAYSLLSY
QTAYVKAHYPVEFMAALLSVERHDSDKVAEYIRDARALGIPVLPPDVNRS
GFDFKVVGEEILFGLSAVKNVGEMAARAILEERERGGPFKSLGDFLKRLP
EQVVNKRALESLVKAGALDAFGDRARLLASLEPLLRWAAETRERGRSGLV
GLFAEVEEPPLVEASPLDEITMLRYEKEALGIYVSGHPVLRYPGLREVAS
CTIEELSEFVRELPGKPKVLLSGMVEEVRFTLSDETGALEVVKEDIPLLV
LAEVERVLAQAVWTLEEVLEAPKALEVEVDHALLDEKGARLKSLLDEHPG
SLPVYLRVLGPFGEALFALREVRVGEEALGLLEAEGYRAYLVPDREVF
Ligand information
Ligand IDDTP
InChIInChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKeySUYVUBYJARFZHO-RRKCRQDMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
FormulaC10 H16 N5 O12 P3
Name2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
ChEMBLCHEMBL335538
DrugBankDB03222
ZINCZINC000008215662
PDB chain3e0d Chain A Residue 1222 [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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PDB3e0d Insights into the Replisome from the Structure of a Ternary Complex of the DNA Polymerase III alpha-Subunit.
Resolution4.6 Å
Binding residue
(original residue number in PDB)		R424 G425 S426 D465 H817
Binding residue
(residue number reindexed from 1)		R398 G399 S400 D439 H791
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003887 DNA-directed DNA polymerase activity
GO:0008408 3'-5' exonuclease activity
Biological Process
GO:0006260 DNA replication
GO:0071897 DNA biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3e0d, PDBe:3e0d, PDBj:3e0d
PDBsum3e0d
PubMed18691598
UniProtQ9XDH5|DPO3A_THEAQ DNA polymerase III subunit alpha (Gene Name=dnaE)

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