Structure of PDB 1eqc Chain A Binding Site BS01

Receptor Information

>1eqc Chain A (length=394) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQ
TLGKEAALRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDND
PYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQ
NGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQF
FLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQ
VFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNG
VNRGARYEGAYDNAPYIGSCQPLLDISQWSDEHKTDTRRYIEAQLDAFEY
TGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH

Ligand information

Ligand ID

CTS

InChI

InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1

InChIKey

JDVVGAQPNNXQDW-TVNFTVLESA-N

SMILES

Software	SMILES
CACTVS 3.341	O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12
OpenEye OEToolkits 1.5.0	C1CN2CC(C(C(C2C1O)O)O)O
OpenEye OEToolkits 1.5.0	C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O
CACTVS 3.341	O[CH]1CCN2C[CH](O)[CH](O)[CH](O)[CH]12
ACDLabs 10.04	OC1CCN2C1C(O)C(O)C(O)C2

Formula

C8 H15 N O4

Name

CASTANOSPERMINE;
(1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYINDOLIZIDINE

PDB chain

1eqc Chain A Residue 401 [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	1eqc The structure of the exo-beta-(1,3)-glucanase from Candida albicans in native and bound forms: relationship between a pocket and groove in family 5 glycosyl hydrolases.
Resolution	1.85 Å
Binding residue (original residue number in PDB)	E27 Y29 H135 N146 N191 E192 Y255 E292 W363 W373
Binding residue (residue number reindexed from 1)	E21 Y23 H129 N140 N185 E186 Y249 E286 W357 W367
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	E192 E292
Catalytic site (residue number reindexed from 1)	E186 E286
Enzyme Commision number	2.4.1.- 3.2.1.58: glucan 1,3-beta-glucosidase.

Gene Ontology

	Molecular Function
GO:0004338	glucan exo-1,3-beta-glucosidase activity
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016740	transferase activity
GO:0016798	hydrolase activity, acting on glycosyl bonds
GO:0050839	cell adhesion molecule binding

	Biological Process
GO:0000272	polysaccharide catabolic process
GO:0005975	carbohydrate metabolic process
GO:0006696	ergosterol biosynthetic process
GO:0007155	cell adhesion
GO:0009251	glucan catabolic process
GO:0031505	fungal-type cell wall organization
GO:0031589	cell-substrate adhesion
GO:0044011	single-species biofilm formation on inanimate substrate
GO:0044042	glucan metabolic process
GO:0044407	single-species biofilm formation in or on host organism
GO:0071555	cell wall organization

	Cellular Component
GO:0005576	extracellular region
GO:0009986	cell surface
GO:1903561	extracellular vesicle

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:1eqc, PDBe:1eqc, PDBj:1eqc
PDBsum	1eqc
PubMed	10610795
UniProt	P29717\|EXG1_CANAL Glucan 1,3-beta-glucosidase (Gene Name=XOG1)

[Back to BioLiP]