Structure of PDB 2buj Chain A Binding Site BS01

Receptor Information
>2buj Chain A (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQGHMVIIDNKHYLFIQKLGEFSYVDLVEGLHDGHFYALKRILCHEQ
QDREEAQREADMHRLFNHPNILRLVAYCLRERGAKHEAWLLLPFFKRGTL
WNEIERLKDKGNFLTEDQILWLLLGICRGLEAIHAKGYAHRDLKPTNILL
GDEGQPVLMDLGSMNQACIHVEGSRQALTLQDWAAQRCTISYRAPELFSV
QSHCVIDERTDVWSLGCVLYAMMFGEGPYDMVFQKGDSVALAVQNQIPQS
PRHSSALWQLLNSMMTVDPHQRPHIPLLLSQLEALQPPAPG
Ligand information
Ligand IDSTU
InChIInChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChIKeyHKSZLNNOFSGOKW-FYTWVXJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CACTVS 3.341CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
CACTVS 3.341CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
ACDLabs 10.04O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
OpenEye OEToolkits 1.5.0C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
FormulaC28 H26 N4 O3
NameSTAUROSPORINE
ChEMBLCHEMBL388978
DrugBankDB02010
ZINCZINC000003814434
PDB chain2buj Chain A Residue 1301 [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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PDB2buj Crystal Structure of the Human Serine-Threonine Kinase 16 in Complex with Staurosporine
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L26 E28 V34 A47 F100 F101 M165
Binding residue
(residue number reindexed from 1)		L22 E24 V28 A41 F94 F95 M159
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D148 K150 N153 D166 T195
Catalytic site (residue number reindexed from 1) D142 K144 N147 D160 T189
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0000978 RNA polymerase II cis-regulatory region sequence-specific DNA binding
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0004715 non-membrane spanning protein tyrosine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0044024 histone H2AS1 kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046777 protein autophosphorylation
GO:0071560 cellular response to transforming growth factor beta stimulus
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005798 Golgi-associated vesicle
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0048471 perinuclear region of cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2buj, PDBe:2buj, PDBj:2buj
PDBsum2buj
PubMed
UniProtO75716|STK16_HUMAN Serine/threonine-protein kinase 16 (Gene Name=STK16)

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