Structure of PDB 6kbj Chain A Binding Site BS02

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

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

6kbj Chain A Residue 402 [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)	D97 D98 N138 S143 P144
Binding residue (residue number reindexed from 1)	D63 D64 N104 S109 P110
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

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

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