BioLiP

Receptor Information

>2is4 Chain A (length=646) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MDVSYLLDSLNDKQREAVAAPRSNLLVLAGAGSGKTRVLVHRIAWLMSVE
NCSPYSIMAVTFTNKAAAEMRHRIGQLMGTSQGGMWVGTFHGLAHRLLRA
HHMDANLPQDFQILDSEDQLRLLKRLIKAMNLDEKQWPPRQAMWYINSQK
DEGLRPHHIQNPVEQTWQKVYQAYQEACDRAGLVDFAELLLRAHELWLNK
PHILQHYRERFTNILVDEFQDTNNIQYAWIRLLAGDTGKVMIVGDDDQSI
YGWRGAQVENIQRFLNDFPGAETIRLEQNYRSTSNILSAANALIENNNGR
LGKKLWTDGADGEPISLYCAFNELDEARFVVNRIKTWQDNGGALAECAIL
YRSNAQSRVLEEALLQASMPYRIYGGMRFFERQEIKDALSYLRLIVNRND
DAAFERVVNTPTRGIGDRTLDVVRQTSRDRQLTLWQACRELLQEKALAGR
AASALQRFMELIDALAQETADMPLHVQTDRVIKDSGLRTMYEQEKGEKGQ
TRIENLEELVTATRQFMPLQAFLSHAALEAGETWQDAVQLMTLHSAKGLE
FPQVFIVGMEEGMFPSQMSLDEGGRLEEERRLAYVGVTRAMQKLTLTYAE
TRRLYGKEVYHRPSRFIGELPEECVEEVRLRATVSRPVSHQRMGTP

Ligand ID

ANP

InChI

InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1

InChIKey

PVKSNHVPLWYQGJ-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N

Formula

C10 H17 N6 O12 P3

Name

PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER

PDB chain

2is4 Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2is4 UvrD helicase unwinds DNA one base pair at a time by a two-part power stroke.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	Q14 A31 G32 S33 G34 K35 T36 R37 R73 Q251 Y283 R284 E566 R605
Binding residue (residue number reindexed from 1)	Q14 A31 G32 S33 G34 K35 T36 R37 R73 Q248 Y280 R281 E550 R589
Annotation score	3

Catalytic site (original residue number in PDB)	T36 D220 Q251
Catalytic site (residue number reindexed from 1)	T36 D217 Q248
Enzyme Commision number	5.6.2.4: DNA 3'-5' helicase.

	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

PDB	RCSB:2is4, PDBe:2is4, PDBj:2is4
PDBsum	2is4
PubMed	17190599
UniProt	P03018\|UVRD_ECOLI DNA helicase II (Gene Name=uvrD)

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Structure of PDB 2is4 Chain A Binding Site BS03