Structure of PDB 6adu Chain B Binding Site BS02

Receptor Information

>6adu Chain B (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 B Residue 302 [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)	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:6adu, PDBe:6adu, PDBj:6adu
PDBsum	6adu
PubMed	30222239
UniProt	V5TER4

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