Structure of PDB 5ix1 Chain A Binding Site BS03

Receptor Information
>5ix1 Chain A (length=414) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIRLSALCPKFLHTNSTSHTWPFSAVAELIDNAYDPDVNAKQIWIDKTVI
SDHICLTFTDNGNGMTADKLHKMLSFGFSDKVTMNGHVPVGLYGNGFKSG
SMRLGKDAMVFTKNGETMSVGFLSQTYLEVIKAEHVVVPIVTFNKHRQMI
NLTESKASLAAILEHSLFSTEQKLLAELNAIMGKKGTRIIIWNLRSYKNA
TEFDFEKDKYDIRIPEDYKKQEIAPESDYSLRAYCSILYLKPRMQIIIRG
QKVKTQLVSKSLAYIERDVYRPKFLTRTVRITFGFNCRNKDHYGIMMYHK
NRLIKAYEKVGCQNMGVGVVGIIECNFLKPTHNKQDFDYTNEYRLTILAL
GEKLNDYWNEMKKRPDQTWVQCDACLKWRKLPDGIDQLPEKWYCSNNPDP
QFRNCEVPEEPEDE
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 chain5ix1 Chain A Residue 502 [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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PDB5ix1 Mouse MORC3 is a GHKL ATPase that localizes to H3K4me3 marked chromatin
Resolution2.6 Å
Binding residue
(original residue number in PDB)		N39 V45 M72 M80 S86 K88 G98 L99 Y100 G101 N102 G103 F104 K358
Binding residue
(residue number reindexed from 1)		N32 V38 M65 M73 S79 K81 G91 L92 Y93 G94 N95 G96 F97 K334
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:5ix1, PDBe:5ix1, PDBj:5ix1
PDBsum5ix1
PubMed27528681
UniProtF7BJB9|MORC3_MOUSE MORC family CW-type zinc finger protein 3 (Gene Name=Morc3)

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