Structure of PDB 4zcf Chain C Binding Site BS03

Receptor Information
>4zcf Chain C (length=627) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEKNLPHQKAGVDAVMNVFVSATPHLTDNVAVRLLANPELKLSEQQYYN
NIKNVQAFNGIAHSKDNHNAKSNIIDVSMETGTGKTYTYIKTIFDLNKSF
GINKFIIIVPTLSIKAGTVNFLKSDALKEHFRDDYKRELRTYVVESQKMP
QAIHDFVEASNFKKYIHVLVINSGMINSKSLTDTYDTGLLDNQFNTPVDA
LRAVKPFIIIDEPHRFPTGKKTWENIEKFNAQYIIRYGATFSEGYKNLVY
RLTAVDAFNDDLVKGIDAYIEDNANLKFVKDGKEATFFKLAKSLSKTHSA
IHDLTLDALNTAVLSNGIELKIGSSINPYSYDQTLADNMMRKAVKEHFKL
EKELLTQPRIKPLTLFFIDDLKTKFEEYVLAEANELLYKNYLEKTVTNIS
SVHGGYIEQEINEILHDKELLLSLDNPRRFIFSKWTLREGWDNPNVFQIC
KLRSSKLQEVGRGLRLPVNEYMCRVKNFTLKYYVDFTEKDFVDSLVKEVN
ESSPSKFTQELKEQIDNFKDSDAYSRLKSELKELWDLINQKAVIEYKINS
ESEFLSIFKSFMLEETERSYREFLDNLSQTIFVKHGTLHKVFCDIKDTIL
NIQTIRKIKSGFSKYLLNNSFSLGYNL
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4zcf Chain C 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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PDB4zcf Structural basis of asymmetric DNA methylation and ATP-triggered long-range diffusion by EcoP15I.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T91 I119 G122 F126 D226 R537
Binding residue
(residue number reindexed from 1)		T86 I114 G117 F121 D211 R465
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.5: type III site-specific deoxyribonuclease.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004386 helicase activity
GO:0004519 endonuclease activity
GO:0005524 ATP binding
GO:0015668 type III site-specific deoxyribonuclease activity
GO:0016787 hydrolase activity
Biological Process
GO:0009307 DNA restriction-modification system

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4zcf, PDBe:4zcf, PDBj:4zcf
PDBsum4zcf
PubMed26067164
UniProtQ5ZND2|T3RE_ECOLX Type III restriction-modification enzyme EcoP15I Res subunit (Gene Name=res)

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