Structure of PDB 7p8v Chain B Binding Site BS03

Receptor Information
>7p8v Chain B (length=331) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPIQVLPPQLANQIAAGEVVERPASVVKELVENSLDAGATRIDIDIERGG
AKLIRIRDNGCGIKKDELALALARHATSKIASLDDLEAIISLGFRGEALA
SISSVSRLTLTSRTAEQQEAWQAYAEGRDMNVTVKPAAHPVGTTLEVLDL
FYNTPARRKFLRTEKTEFNHIDEIIRRIALARFDVTINLSHNGKIVRQYR
AVPEGGQKERRLGAICGTAFLEQALAIEWQHGDLTLRGWVADPNHTTPAL
AEIQYCYVNGRMMRDRLINHAIRQACEDKLGADQQPAFVLYLEIDPHQVD
VNVHPAKHEVRFHQSRLVHDFIYQGVLSVLQ
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 chain7p8v 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

[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]
PDB7p8v MutL binds to 3' resected DNA ends and blocks DNA polymerase access.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		N33 S34 A37 G62 I63 T77 S78 K79 G93 F94 R95 G96 A98 T143 K307
Binding residue
(residue number reindexed from 1)		N33 S34 A37 G62 I63 T77 S78 K79 G93 F94 R95 G96 A98 T143 K307
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0030983 mismatched DNA binding
GO:0042802 identical protein binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0000018 regulation of DNA recombination
GO:0000717 nucleotide-excision repair, DNA duplex unwinding
GO:0006281 DNA repair
GO:0006298 mismatch repair
GO:0070716 mismatch repair involved in maintenance of fidelity involved in DNA-dependent DNA replication
Cellular Component
GO:0017117 single-stranded DNA-dependent ATP-dependent DNA helicase complex
GO:0032300 mismatch repair complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7p8v, PDBe:7p8v, PDBj:7p8v
PDBsum7p8v
PubMed35670670
UniProtP23367|MUTL_ECOLI DNA mismatch repair protein MutL (Gene Name=mutL)

[Back to BioLiP]