Structure of PDB 6nbw Chain A Binding Site BS01

Receptor Information

>6nbw Chain A (length=367) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DDDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHGQKDSYVGDEA
QSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEA
PLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDG
VTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREI
VRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCP
EALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPG
IADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWIS
KQEYDESGPSIVHRKCF

Ligand information

Ligand ID

ATP

InChI

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C10 H16 N5 O13 P3

Name

ADENOSINE-5'-TRIPHOSPHATE

PDB chain

6nbw Chain A Residue 402 [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	6nbw Mechanism of actin N-terminal acetylation.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	G13 S14 G15 M16 K18 G156 D157 G158 V159 G182 R210 K213 E214 G302 M305 Y306 K336
Binding residue (residue number reindexed from 1)	G12 S13 G14 M15 K17 G148 D149 G150 V151 G174 R202 K205 E206 G294 M297 Y298 K328
Annotation score	5

Enzymatic activity

Enzyme Commision number

3.6.4.-

Gene Ontology

	Molecular Function
GO:0005200	structural constituent of cytoskeleton
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016787	hydrolase activity
GO:0016887	ATP hydrolysis activity
GO:0019894	kinesin binding
GO:0019901	protein kinase binding
GO:0030957	Tat protein binding
GO:0031492	nucleosomal DNA binding
GO:0042802	identical protein binding
GO:0048156	tau protein binding
GO:0050998	nitric-oxide synthase binding
GO:0098973	structural constituent of postsynaptic actin cytoskeleton

	Biological Process
GO:0000079	regulation of cyclin-dependent protein serine/threonine kinase activity
GO:0001738	morphogenesis of a polarized epithelium
GO:0006338	chromatin remodeling
GO:0006357	regulation of transcription by RNA polymerase II
GO:0007010	cytoskeleton organization
GO:0007163	establishment or maintenance of cell polarity
GO:0007409	axonogenesis
GO:0008284	positive regulation of cell population proliferation
GO:0021762	substantia nigra development
GO:0022898	regulation of transmembrane transporter activity
GO:0030071	regulation of mitotic metaphase/anaphase transition
GO:0032091	negative regulation of protein binding
GO:0034333	adherens junction assembly
GO:0035633	maintenance of blood-brain barrier
GO:0042981	regulation of apoptotic process
GO:0045176	apical protein localization
GO:0045582	positive regulation of T cell differentiation
GO:0045596	negative regulation of cell differentiation
GO:0045597	positive regulation of cell differentiation
GO:0045663	positive regulation of myoblast differentiation
GO:0045893	positive regulation of DNA-templated transcription
GO:0048870	cell motility
GO:0051621	regulation of norepinephrine uptake
GO:0051623	positive regulation of norepinephrine uptake
GO:0051726	regulation of cell cycle
GO:0070316	regulation of G0 to G1 transition
GO:0070527	platelet aggregation
GO:0071896	protein localization to adherens junction
GO:0072749	cellular response to cytochalasin B
GO:0098974	postsynaptic actin cytoskeleton organization
GO:0150111	regulation of transepithelial transport
GO:1900242	regulation of synaptic vesicle endocytosis
GO:1902459	positive regulation of stem cell population maintenance
GO:1903076	regulation of protein localization to plasma membrane
GO:1905168	positive regulation of double-strand break repair via homologous recombination
GO:2000045	regulation of G1/S transition of mitotic cell cycle
GO:2000779	regulation of double-strand break repair
GO:2000781	positive regulation of double-strand break repair
GO:2000819	regulation of nucleotide-excision repair

	Cellular Component
GO:0000776	kinetochore
GO:0000785	chromatin
GO:0000786	nucleosome
GO:0005615	extracellular space
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005856	cytoskeleton
GO:0005884	actin filament
GO:0005886	plasma membrane
GO:0005903	brush border
GO:0005911	cell-cell junction
GO:0005912	adherens junction
GO:0005925	focal adhesion
GO:0015629	actin cytoskeleton
GO:0016020	membrane
GO:0016363	nuclear matrix
GO:0016514	SWI/SNF complex
GO:0016586	RSC-type complex
GO:0030027	lamellipodium
GO:0030424	axon
GO:0030863	cortical cytoskeleton
GO:0031982	vesicle
GO:0032991	protein-containing complex
GO:0035060	brahma complex
GO:0035267	NuA4 histone acetyltransferase complex
GO:0036464	cytoplasmic ribonucleoprotein granule
GO:0043296	apical junction complex
GO:0044305	calyx of Held
GO:0045202	synapse
GO:0070062	extracellular exosome
GO:0070160	tight junction
GO:0071564	npBAF complex
GO:0071565	nBAF complex
GO:0072562	blood microparticle
GO:0097433	dense body
GO:0098685	Schaffer collateral - CA1 synapse
GO:0098793	presynapse
GO:0098871	postsynaptic actin cytoskeleton
GO:0098978	glutamatergic synapse
GO:0140092	bBAF complex
GO:0140288	GBAF complex
GO:1990904	ribonucleoprotein complex

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Cellular Component

External links

PDB	RCSB:6nbw, PDBe:6nbw, PDBj:6nbw
PDBsum	6nbw
PubMed	32284999
UniProt	P60709\|ACTB_HUMAN Actin, cytoplasmic 1 (Gene Name=ACTB)

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