Structure of PDB 6znq Chain A Binding Site BS03

Receptor Information
>6znq Chain A (length=748) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKSLTELISDLKGNENVVNWHEIEPREAKTRPMPESIDERIKAALSKRG
IDELYTHQYSAFQYVQKGESIVTVTPTASGKTLCYNLPVLQSIAQDETNR
ALYLFPTKALAQDQKSELNEIIDEMGIDIKSFTYDGDTSPAIRQKVRKAG
HIVITNPDMLHSAILPHHTKWVSLFENLKYIVIDELHTYRGVFGSHVANV
IRRLKRICRFYGSDPVFICTSATIANPKELGEQLTGKPMRLVDDNGAPSG
RKHFVFYNPPIVNKPLNIRRSATAEVNELAKEFLKNKVQTIVFARSRVRV
EIILSHIQELVKKEIGTKSIRGYRGGYLPKERREIERGLREGDILGVVST
NALELGVDIGQLQVCVMTGYPGSVASAWQQAGRAGRRHGESLIIMVANST
PIDQYIVRHPEYFFNRSPESARINPENLIILVDHLKCAAYELPFRADEEF
GAMEVSDILEYLQEEAVLHRNGERYHWASESFPASNISLRSASQENVVIV
DQSDIANVRIIGEMDRFSAMTLLHDEAIYLHEGVQYQVEKLDWDHKKAYV
RKVDVEYYTDANLAVQLKVLEIDKTKEKSRTSLHYGDVTVNALPTIFKKI
KMTTFENIGSGPIHLPEEELHTSAAWLEIKTADEDIGEKTLEQLLLGISN
VLQHIVPVYIMCDRNDVHVVSQIKAAHTGLPTIFLYDHYPGGIGLAEEVF
KRFSDINEAAKQLITHCPCHDGCPSCIGTEIEGIKAKERILQLLDQMS
Ligand information
Ligand IDANP
InChIInChI=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
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(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 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(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
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain6znq Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6znq A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Resolution3.34 Å
Binding residue
(original residue number in PDB)		G51 I52 Y56 T78 A79 G81 K82 T83 G357
Binding residue
(residue number reindexed from 1)		G50 I51 Y55 T77 A78 G80 K81 T82 G356
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0043138 3'-5' DNA helicase activity
Biological Process
GO:0006289 nucleotide-excision repair
GO:0032508 DNA duplex unwinding
GO:0036297 interstrand cross-link repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6znq, PDBe:6znq, PDBj:6znq
PDBsum6znq
PubMed33300032
UniProtP50830|YPRA_BACSU Uncharacterized ATP-dependent helicase YprA (Gene Name=yprA)

[Back to BioLiP]