Structure of PDB 6adu Chain A Binding Site BS03

Receptor Information

>6adu Chain A (length=199) Species: 230521 (Fischerella ambigua UTEX 1903) [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

6adu Chain A Residue 304 [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	6adu The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Resolution	1.96 Å
Binding residue (original residue number in PDB)	N137 L138 F147 A148 G149 E175
Binding residue (residue number reindexed from 1)	N111 L112 F121 A122 G123 E149
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6adu, PDBe:6adu, PDBj:6adu
PDBsum	6adu
PubMed	30222239
UniProt	V5TER4

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