Structure of PDB 7oc5 Chain A Binding Site BS01

Receptor Information

>7oc5 Chain A (length=386) Species: 2203296 (Sarocladium sp. 'schorii') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TPTKMATLTTKQMWQTIKDYFGDGFVTGSAPISYNVHTCDMQLQPDSGIH
AASDGIHYGVQISEDSMPLFSIMGDTAAPPCTCHRVDEIVKHIDEFLERA
PEALPDDGAITSGKPCDTNPDQVSLYAMRDSLSWWVHWGGNLRPEHYWKQ
IYIGFAAIPDDVQISPREFLDGTYRYLGHTWDDCLSGLEEEGVSPDEIEF
ANMCMWRQMLTQWLEKADPELLPLLKGKISLMLQYRVLTANTLGCLALFM
NATADPKGPIHYADSSYEMEIASVAQCVTLDMAKEAMGILQRTEVVAGDR
AQRKRELRWIYVRCMQILESQPHAHMLRRYGSAGLHYVPMMDRYLERVSG
HTRFPIRDGAARILERFINRAELPKESEDINPNGRS

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

7oc5 Chain A Residue 501 [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	7oc5 Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Resolution	2.01 Å
Binding residue (original residue number in PDB)	H41 C43 C85 C87
Binding residue (residue number reindexed from 1)	H37 C39 C81 C83
Annotation score	1

Enzymatic activity

Enzyme Commision number

4.2.3.104: alpha-humulene synthase.

Gene Ontology

	Molecular Function
GO:0016829	lyase activity
GO:0080017	alpha-humulene synthase activity

	Biological Process
GO:0016114	terpenoid biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:7oc5, PDBe:7oc5, PDBj:7oc5
PDBsum	7oc5
PubMed	34180566
UniProt	A0A2U8U2L5\|ASR6_SARSH Alpha-humulene synthase asR6 (Gene Name=asR6)

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