Structure of PDB 8yl9 Chain A Binding Site BS04

Receptor Information

>8yl9 Chain A (length=346) Species: 104259 (Penicillium brasilianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DFLSGAFHYSDSVNPSKYSPRPSDYFGTLPFRTSRFEREAADVTADYLRK
WQKAVKADNPERLVFHGSTTTLGHFVSWAYPECIPDRVDLCTQICDFGFY
WDDVTDSVNVQENAEITQDLALALLSELTGQRLEPKLEINKIVVQMLWGV
LDKDRKSGLEMIKFWKGHLDGQAEHNNMSFEEYTKHRLSEVGARWAVEVG
CWSLGINLSREKKDSVAHFVNKGLLAAALMNDYYSFNKEFDEHQRAGSMD
RLQNGLGILMREYGYTETEARSILREEIRKGERAIMDGYIAWRESADSSS
ESHELNRYIVMIILMIGGITFWSSHASRYHRDDLITTAGDRAMIVG

Ligand information

Ligand ID

PPV

InChI

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

InChIKey

XPPKVPWEQAFLFU-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)O
CACTVS 3.341	O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	OP(=O)(O)OP(=O)(O)O

Formula

H4 O7 P2

Name

PYROPHOSPHATE

PDB chain

8yl9 Chain A Residue 404 [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	8yl9 Structural Insights into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.
Resolution	2.75 Å
Binding residue (original residue number in PDB)	D105 R193 N237 S241 E245 R334 Y335
Binding residue (residue number reindexed from 1)	D102 R187 N231 S235 E239 R328 Y329
Annotation score	5

Enzymatic activity

Enzyme Commision number

2.5.1.29: geranylgeranyl diphosphate synthase.
2.5.1.81: geranylfarnesyl diphosphate synthase.
4.2.3.-

External links

PDB	RCSB:8yl9, PDBe:8yl9, PDBj:8yl9
PDBsum	8yl9
PubMed	38584136
UniProt	A0A2Z6AQX7\|PBSS_PENBI Sesterbrasiliatriene synthase PbSS (Gene Name=PbSS)

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