Structure of PDB 6kbq Chain A Binding Site BS01

Receptor Information

>6kbq 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

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

6kbq Chain A Residue 407 [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	6kbq Crystallographic and calorimetric analysis on Pleurotus ostreatus lectin and its sugar complexes - promiscuous binding driven by geometry.
Resolution	2.299 Å
Binding residue (original residue number in PDB)	D259 D260 N301 G303 P305
Binding residue (residue number reindexed from 1)	D225 D226 N267 G269 P271
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

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

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