Structure of PDB 4xhg Chain A Binding Site BS01

Receptor Information
>4xhg Chain A (length=357) Species: 5478 (Nakaseomyces glabratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLRVGRKFRIGRKIGSGSFGDIYHGTNLISGEEVAIRLESIRSRHPQLDY
ESRVYKYLSGGVGIPFIRWFGREGEYNAMVIDLLGPSLEDLFNYCHRKFS
FKTVIMLALQMICRVQYIHGRSFIHRDIKPDNFLMGVGRRGSTVHVIDFG
LSKKYRDFNTHRHIPYRENKSLTGTARYASVNTHLGIEQSRRDDLESLGY
MLIYFCKGSLPWQGLKATTKKQKYDRILEKKLCISVETLCAGLPLEFSEY
MNYCRNLKFDERPDYLYLARLFKDLSIKLEYHNDHLFDWTMLRYTKAMVE
KKNDSFNKVKLLAMKKFASHFHYCKNDDKHYPTPEEIKQQTVQNNNAAPE
LLSAIDK
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 chain4xhg Chain A Residue 501 [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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PDB4xhg Structure of the Saccharomyces cerevisiae Hrr25:Mam1 monopolin subcomplex reveals a novel kinase regulator.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		S17 I23 R38 L84 L85
Binding residue
(residue number reindexed from 1)		S16 I22 R37 L83 L84
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xhg, PDBe:4xhg, PDBj:4xhg
PDBsum4xhg
PubMed27491543
UniProtQ6FS46

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