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Receptor Information

>6tsz Chain U (length=287) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NLYFQENFILYEEIGRGSKTVVYKGRRKGTINFVAILCTDKCKRPEITNW
VRLTREIKHKNIVTFHEWYETSNHLWLVVELCTGGSLKTVIAQDENLPED
VVREFGIDLISGLHHLHKLGILFCDISPRKILLEGPGTLKFSNFCLAKVE
GENLEEFFALVAAEEGDNGENVLKKSMKSRVKGSPVYTAPEVVRGADFSI
SSDLWSLGCLLYEMFSGKPPFFSESISELTEKILCEDPLPPIPKDSSRPK
ASSDFINLLDGLLQRDPQKRLTWTRLLQHSFWKKAFA

Ligand ID

AGS

InChI

InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

6tsz Chain U Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6tsz Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	I10 R12 G13 S14 V18 A31 K39 E76 C78 R125 L128 N139 C141
Binding residue (residue number reindexed from 1)	I14 R16 G17 S18 V22 A35 K43 E80 C82 R129 L132 N143 C145
Annotation score	4

Catalytic site (original residue number in PDB)	D121 S123 K126 N139 S174 S182
Catalytic site (residue number reindexed from 1)	D125 S127 K130 N143 S176 S184
Enzyme Commision number	2.7.11.1: non-specific serine/threonine protein kinase.

	Molecular Function
GO:0004672	protein kinase activity
GO:0005524	ATP binding

	Biological Process
GO:0006468	protein phosphorylation

PDB	RCSB:6tsz, PDBe:6tsz, PDBj:6tsz
PDBsum	6tsz
PubMed	32814032
UniProt	Q96C45\|ULK4_HUMAN Serine/threonine-protein kinase ULK4 (Gene Name=ULK4)

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Structure of PDB 6tsz Chain U Binding Site BS01