Structure of PDB 1bch Chain 3 Binding Site BS01

Receptor Information

>1bch Chain 3 (length=154) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AIEVKLANMEAEINTLKSKLELTNKLHAFSMGKKSGKKFFVTNHERMPFS
KVKALCSELRGTVAIPRNAEENKAIQEVAKTSAFLGITDEVTEGQFMYVT
GGRLTYSNWKKDQPDDWYGHGLGGGEDCVHIVDNGLWNDISCQASHTAVC
EFPA

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

1bch Chain 3 Residue 227 [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	1bch Mechanism of N-acetylgalactosamine binding to a C-type animal lectin carbohydrate-recognition domain.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D161 E165 D188 E198 D199
Binding residue (residue number reindexed from 1)	D89 E93 D116 E126 D127
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1bch, PDBe:1bch, PDBj:1bch
PDBsum	1bch
PubMed	9677372
UniProt	P19999\|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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