Structure of PDB 5z53 Chain B Binding Site BS01

Receptor Information

>5z53 Chain B (length=199) Species: 1930928 (Fischerella sp. TAU) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVVSIPINNAGFEDPFIEVVDDYTVDTPPGWTTYNPNNLVPEKRTTWTSN
NGVGYVGPGTQFYNQLAPEGRNIGYIYLAQKPGSGVAGFEQILDATLEPD
TNYTLKVDVGNLAGTFKGLSFAGFPGYRVELLAGDTVLAADHNNLFIKEG
EFKTSTVTYTSTAKDLHLGQKLGIRLVNLLQDKFSGLDFDNVRLTAEPT

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

5z53 Chain B Residue 301 [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	5z53 The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Resolution	1.86 Å
Binding residue (original residue number in PDB)	G37 E39 E95 N98 D216
Binding residue (residue number reindexed from 1)	G11 E13 E69 N72 D190
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5z53, PDBe:5z53, PDBj:5z53
PDBsum	5z53
PubMed	30222239
UniProt	A0A1P8VSI6

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