Structure of PDB 7nyw Chain B Binding Site BS04

Receptor Information
>7nyw Chain B (length=858) Species: 230089 (Photorhabdus thracensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IERGKFRSLTLVNWNGFFARTFDLDELVTTLSGGNGAGKSTTMAAFVTAL
IPDLTLLHFRNTTEAGATSGSRDKGLHGKLRAGVCYSTLDVINSRHQRVV
VGVRLQQVAGRDRKVDIKPFMIQGLPTAIQPTQLLTENVGERQARVLPLN
ELKDRLDEMEGVQFKQFNSITDYHAQMFDLGVIPKRLRSASDRSKFYRLI
EASLYGGISSAITRSLRDYLLPENSGVRKAFQDMEAALRENRITLEAIRV
TQSDRDLFKHLITEATSYVSADYMRHANERRTHLDEALALRGELFGSHKQ
LATEQALSLSVNEGGERRMEMRQELEQLKQKIQSLTARAPVWLAAQDTLN
QLCEQSGETLASSNDVTEYMQQLLEREREATVERDEVAAQKRELEKQIER
LLEALNLERDALAERYATLSFDVQKIQRAHQAFSQFVGKHLSVAFDTDPE
AEIRELRQRHTELEREVSRFEDQTQQQRMENVQKKLRKLERDYYQIREQV
VSAKAGWCAVMRMVKDNGVERRLHRRELAYMEGGALRSMSDKALGALRLA
VADNEHLRDALRLSEDPKRPERKVQFFIAVYQHLRERIRQDIIRTDDPVD
AIEQMEIELARLTEELTAREQKLAISSKSVANIIRKTIQREQNRIRMLNQ
GLQAVSFGQVRGVRLNVNVRESHAILLDVLSEQQEQHQDLFNSQRLTFSE
AMAKLYQRLNPQVDMGQRLPQTIGEELLDYRNYLELDVEVNRGSDGWLKA
ESGALSTGEAIGTGMSILVMVVQSWEEESRRLRGKDISPCRLLFLDQAAR
LDAKSIATLFELCERLQMQLIIAAPENISPEKGTTYKLVRKVFKNHEHVH
VVGLRGFG
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7nyw Chain B Residue 1502 [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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PDB7nyw Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		N36 G37 G39 K40 S41 T42 G79 K80 R1450
Binding residue
(residue number reindexed from 1)		N35 G36 G38 K39 S40 T41 G78 K79 R840
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
Biological Process
GO:0006260 DNA replication
GO:0007059 chromosome segregation
GO:0030261 chromosome condensation
GO:0051301 cell division
Cellular Component
GO:0005737 cytoplasm
GO:0009295 nucleoid

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7nyw, PDBe:7nyw, PDBj:7nyw
PDBsum7nyw
PubMed34739874
UniProtA0A0F7LRY2

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