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BioLiP

Structure of PDB 8y3x Chain A Binding Site BS01

Receptor Information

>8y3x Chain A (length=218) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MIRFEHVSKAYLGGRQALQGVTFHMQPGEMAFLTGHSGAGKSTLLKLICG
IERPSAGKIWFSGHDITRLKNREVPFLRRQIGMIFQDHHLLMDRTVYDNV
AIPLIIAGASGDDIRRRVSAALDKVGLLDKAKNFPIQLSGGEQQRVGIAR
AVVNKPAVLLADQPTGNLDDALSEGILRLFEEFNRVGVTVLMATHDINLI
SRRSYRMLTLSDGHLHGG

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

8y3x Chain A 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	8y3x Structural insight into the septal peptidoglycan hydrolysis machinery of bacterial cell division
Resolution	3.11 Å
Binding residue (original residue number in PDB)	Y11 R15 A17 G40 K41 S42 T43
Binding residue (residue number reindexed from 1)	Y11 R15 A17 G40 K41 S42 T43
Annotation score	5

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016887	ATP hydrolysis activity
GO:0022857	transmembrane transporter activity

	Biological Process
GO:0000917	division septum assembly
GO:0009254	peptidoglycan turnover
GO:0043093	FtsZ-dependent cytokinesis
GO:0046677	response to antibiotic
GO:0051301	cell division
GO:0051781	positive regulation of cell division
GO:0055085	transmembrane transport

	Cellular Component
GO:0000935	division septum
GO:0005737	cytoplasm
GO:0005886	plasma membrane
GO:0019898	extrinsic component of membrane
GO:0032153	cell division site
GO:0098797	plasma membrane protein complex
GO:1904949	ATPase complex
GO:1990586	divisome complex

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:8y3x, PDBe:8y3x, PDBj:8y3x
PDBsum	8y3x
PubMed	38814940
UniProt	P0A9R7\|FTSE_ECOLI Cell division ATP-binding protein FtsE (Gene Name=ftsE)

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