Structure of PDB 6kbj Chain A Binding Site BS05

Receptor Information

>6kbj Chain A (length=339) Species: 5322 (Pleurotus ostreatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TCKITATPSQFQPALLNASKWIWTGENPIPGGSNIISTRPFRKNITAPCG
KCSVCATIVVASDDAHTFYVNGVRIGTGAGFRQGQALFVALQPTWNLFAI
AGQNLVANSPAGIMASILVHFSDGTSETFVTDESWKTLRAAPPENFQLPS
TNDSNWPSAAVQGAYQNSVWGPPVLPPVLPLRGSNWIWTSDNVNGAAPVG
SRAFRKTVNQCTKVAVCATVLIAADDRYTLYVNGATVGSGSSYTVADAYT
IPNLHPTFNTFAINATNGGGPAGVIATILITYSDGSNETVVTDASWKAIQ
TIPQGFQPPLIDEFGWESAKIIGAFGVAPWGAGMVIPSA

Ligand information

Ligand ID

MLI

InChI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2

InChIKey

OFOBLEOULBTSOW-UHFFFAOYSA-L

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341	[O-]C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0	C(C(=O)[O-])C(=O)[O-]

Formula

C3 H2 O4

Name

MALONATE ION

PDB chain

6kbj Chain A Residue 405 [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	6kbj Crystallographic and calorimetric analysis on Pleurotus ostreatus lectin and its sugar complexes - promiscuous binding driven by geometry.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	D259 D260 Y277 G303 P305
Binding residue (residue number reindexed from 1)	D225 D226 Y243 G269 P271
Annotation score	3

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6kbj, PDBe:6kbj, PDBj:6kbj
PDBsum	6kbj
PubMed	32112837
UniProt	E7E2M2

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