Structure of PDB 7k7t Chain A Binding Site BS02

Receptor Information
>7k7t Chain A (length=390) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIRLSTMSPRYLQSNSSSHTRPFSAIAELLDNAVDPDVSARTVFIDVEEV
KNKSCLTFTDDGCGMTPHKLHRMLSFGFTDKCPIGVFGNGFKSGSMRLGK
DALVFTKNGGTLTVGLLSQTYLECVQAQAVIVPIVPFNKKMIDSLPSLEA
ILNYSIFNRENDLLAQFDAIPGKKGTRVLIWNIRRNKNGKSELDFDTDQY
DILVSDELPETEYSLRAFCGILYMKPRMKIFLRQKKVTTQMIAKSLANVE
YDTYKPTFTNKQVRITFGFSCKNQFGIMMYHNNRLIKSFEKVGCQVGVGV
IGVIECNFLKPAYNKQDFEYTKEYRLTINALAQKLNAYWKEKTKVPDQTW
VQCDECLKWRKLPGKIMLPARWFCYYNSHYRRCSVPEEQE
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 chain7k7t Chain A Residue 503 [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]
PDB7k7t Molecular mechanism of the MORC4 ATPase activation.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		N60 V66 M93 M101 T107 G119 V120 F121 G122 N123 G124 F125 K126 T216
Binding residue
(residue number reindexed from 1)		N32 V38 M65 M73 T79 G85 V86 F87 G88 N89 G90 F91 K92 T176
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:7k7t, PDBe:7k7t, PDBj:7k7t
PDBsum7k7t
PubMed33122719
UniProtQ8TE76|MORC4_HUMAN MORC family CW-type zinc finger protein 4 (Gene Name=MORC4)

[Back to BioLiP]