Structure of PDB 6eb3 Chain A Binding Site BS01

Receptor Information

>6eb3 Chain A (length=265) Species: 256318 (metagenome) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MLYAQVNGINLHYEIEGQGQPLLLIMGLGAPAAAWDPIFVQTLTKTHQVI
IYDNRGTGLSDKPDMPYSIAMFASDAVGLLDALNIPRAHVFGVSMGGMIA
QELAIHYPQRVASLILGCTTPGGKHAVPAPPESLKALAGLTPEEAIREGW
KLSFSEEFIHTHKAELEAHIPRLLAQLTPRFAYERHFQATMTLRVFKQLK
EIQAPTLVATGRDDMLIPAVNSEILAREIPGAELAIFESAGHGFVTSARE
PFLKVLKEFLARQSV

Ligand information

Ligand ID

J3J

InChI

InChI=1S/C7H14O4/c1-2-3-7(10)11-6(4-8)5-9/h6,8-9H,2-5H2,1H3

InChIKey

PVPWPCLNZDBNFK-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	OCC(CO)OC(CCC)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCC(=O)OC(CO)CO

Formula

C7 H14 O4

Name

1,3-dihydroxypropan-2-yl butanoate

PDB chain

6eb3 Chain A Residue 304 [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	6eb3 Functional and Structural characterisation of an Esterase from Amazonian Dark Soil
Resolution	2.35 Å
Binding residue (original residue number in PDB)	G17 Q48
Binding residue (residue number reindexed from 1)	G17 Q48
Annotation score	1

External links

PDB	RCSB:6eb3, PDBe:6eb3, PDBj:6eb3
PDBsum	6eb3
PubMed

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