Structure of PDB 2is6 Chain B Binding Site BS04

Receptor Information
>2is6 Chain B (length=652) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVSYLLDSLNDKQREAVAAPRSNLLVLAGAGSGKTRVLVHRIAWLMSVEN
CSPYSIMAVTFTNKAAAEMRHRIGQLMGTSQGGMWVGTFHGLAHRLLRAH
HMDANLPQDFQILDSEDQLRLLKRLIKAMNLDEKQWPPRQAMWYINSQKD
EGLRPHHINPVEQTWQKVYQAYQEACDRAGLVDFAELLLRAHELWLNKPH
ILQHYRERFTNILVDEFQDTNNIQYAWIRLLAGDTGKVMIVGDDDQSIYG
WRGAQVENIQRFLNDFPGAETIRLEQNYRSTSNILSAANALIENNNGRLG
KKLWTDGADGEPISLYCAFNELDEARFVVNRIKTWQDNGGALAECAILYR
SNAQSRVLEEALLQASMPYRIYGGMRFFERQEIKDALSYLRLIVNRNDDA
AFERVVNTPTRGIGDRTLDVVRQTSRDRQLTLWQACRELLQEKALAGRAA
SALQRFMELIDALAQETADMPLHVQTDRVIKDSGLRTMYEQEKGEKGQTR
IENLEELVTATRQFSEDLMPLQAFLSHAALEAGEGQADTWQDAVQLMTLH
SAKGLEFPQVFIVGMEEGMFPSQMSLDEGGRLEEERRLAYVGVTRAMQKL
TLTYAETRRLYGKEVYHRPSRFIGELPEECVEEVRLRATVSRPVSHQRMG
TP
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2is6 Chain B Residue 702 [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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PDB2is6 UvrD helicase unwinds DNA one base pair at a time by a two-part power stroke.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S9 Q14 G32 G34 K35 T36 R37 R73 Y283 R284 E566
Binding residue
(residue number reindexed from 1)		S8 Q13 G31 G33 K34 T35 R36 R72 Y278 R279 E556
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T36 D220 Q251
Catalytic site (residue number reindexed from 1) T35 D215 Q246
Enzyme Commision number 5.6.2.4: DNA 3'-5' helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015616 DNA translocase activity
GO:0016787 hydrolase activity
GO:0016853 isomerase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
GO:0042803 protein homodimerization activity
GO:0043138 3'-5' DNA helicase activity
Biological Process
GO:0000717 nucleotide-excision repair, DNA duplex unwinding
GO:0000725 recombinational repair
GO:0006260 DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006281 DNA repair
GO:0006289 nucleotide-excision repair
GO:0006298 mismatch repair
GO:0009314 response to radiation
GO:0009432 SOS response
GO:0031297 replication fork processing
GO:0032508 DNA duplex unwinding
GO:0070581 rolling circle DNA replication
GO:0070716 mismatch repair involved in maintenance of fidelity involved in DNA-dependent DNA replication
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0017117 single-stranded DNA-dependent ATP-dependent DNA helicase complex
GO:0033202 DNA helicase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2is6, PDBe:2is6, PDBj:2is6
PDBsum2is6
PubMed17190599
UniProtP03018|UVRD_ECOLI DNA helicase II (Gene Name=uvrD)

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