Structure of PDB 7wrx Chain K Binding Site BS01

Receptor Information
>7wrx Chain K (length=594) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAIGMVLGTEDVTPTVFWFAVSHGASVGLDDLVVVETRKPDGTPVRFYGL
VDNVRKRHEGVTFESDVEDVVAGLLPASVSYAARVLVTRVDPENFIPPQP
GDHVRHAAGRELAMALSADKMEEAAFPGGLLADGQPLPLNFRFINGESGG
HINISGISGVATKTSYALFLLHSIFRSGVMDRTAQGSGGRQSGTAGGRAL
IFNVKGEDLLFLDKPNARMVEKEDKVVRAKGLSADRYALLGLPAEPFRDV
QLLAPPRAGAAGTAIVPQTDQRSEGVTPFVFTIREFCARRMLPYVFSDAS
ASLNLGFVIGNIEEKLFRLAAAQTGKGTGLIVHDWQFEDSETPPENLDFS
ELGGVNLQTFEQLISYLEYKLLEEREGEGDPKWVLKQSPGTLRAFTRRLR
GVQKYLSPLIRGDLTPEQAEGYRPDPLRRGIQLTVVDIHALSAHAQMFVV
GVLLREVFEYKERVGRQDTVFVVLDELNKYAPREGDSPIKDVLLDIAERG
RSLGIILIGAQQTASEVERRIVSNAAIRVVGRLDLAEAERPEYRFLPQSF
RGRAGILQPGTMLVSQPDVPNPVLVNYPFPAWATRRDEVDDLGG
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 chain7wrx Chain K Residue 1001 [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]
PDB7wrx Structural and DNA end resection study of the bacterial NurA-HerA complex.
Resolution3.40004 Å
Binding residue
(original residue number in PDB)		S170 A173 T174 K175 T176 S177 Y589 P590 F591
Binding residue
(residue number reindexed from 1)		S158 A161 T162 K163 T164 S165 Y577 P578 F579
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7wrx, PDBe:7wrx, PDBj:7wrx
PDBsum7wrx
PubMed36829173
UniProtQ9RW32

[Back to BioLiP]