BioLiP

Receptor Information

>3p2h Chain A (length=184) Species: 337 (Burkholderia glumae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MQTFVHEAGRLPAHIAAELGSYRYRVFVEQLGWQLPSEDEKMERDQYDRD
DTVYVLGRDANGEICGCARLLPTTRPYLLQEVFPHLLADEAPRSAHVWEL
SRFAATAWSVRPMLAAAVECAARRGARQLIGVTFCSMERMFRRIGVHAHR
AGAPVSIDGRMVVACWIDIDAQTLAALDLDPALC

Ligand ID

MTA

InChI

InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

InChIKey

WUUGFSXJNOTRMR-IOSLPCCCSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341	CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341	CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0	CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

Formula

C11 H15 N5 O3 S

Name

5'-DEOXY-5'-METHYLTHIOADENOSINE

PDB chain

3p2h Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	3p2h Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Resolution	2.0 Å
Binding residue (original residue number in PDB)	W33 D45 L78 F83 R104
Binding residue (residue number reindexed from 1)	W33 D45 L78 F83 R102
Annotation score	5

Enzyme Commision number

2.3.1.184: acyl-homoserine-lactone synthase.

	Molecular Function
GO:0016740	transferase activity
GO:0061579	N-acyl homoserine lactone synthase activity

	Biological Process
GO:0007165	signal transduction
GO:0009372	quorum sensing

PDB	RCSB:3p2h, PDBe:3p2h, PDBj:3p2h
PDBsum	3p2h
PubMed	21730159
UniProt	Q4VSJ8

[Back to BioLiP]

Structure of PDB 3p2h Chain A Binding Site BS01