Structure of PDB 8z4q Chain A Binding Site BS01

Receptor Information

>8z4q Chain A (length=463) Species: 357447 (Aspergillus westerdijkiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ELASTSEFRFDPERTPGLRHAKNLTDESTRELERVLEENHSNHHIFTTTE
DHKGVYFHNHIAHHDITIWALGANPSTIRSQHDRNSLYQRQAMVIQDSVV
KDMADPAVYKRCLGREENFLNYCRFFEDEINRIGYQAVLQKYLVDGSEIA
DDMLCRIYMGYVHGIIHIGMALEFKQARLLAEGFAQAAVHHDWWYTEYLT
QSEELARKQEEPALPLSDLIDLARQDDAIRNCSTLYYHLQKRKVTGEMCL
DLEPARDGVLKNAGPELRRVAARYRVDPNDLERATAELQNAAVYLTAGAQ
RPPHICAFDFFLLHSVTSSIGHTMFLAEPSLSNAQKARLLEYTGRVFLLS
YAGQGSPEPRLDWLASHPSRLPNQGWDEVFDRACYHEDDGHMCKLIRCMA
HAEETSRPYDHLPEFRVKQGLFLTAGIAAIDSGTDKPMDGTKHFDFIRGS
GFKEAWERFPLRT

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

8z4q 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	8z4q Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs.
Resolution	1.68 Å
Binding residue (original residue number in PDB)	H63 H166 H317 H394 K397
Binding residue (residue number reindexed from 1)	H60 H163 H314 H391 K394
Annotation score	4

External links

PDB	RCSB:8z4q, PDBe:8z4q, PDBj:8z4q
PDBsum	8z4q
PubMed	39227380

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