Structure of PDB 6qz2 Chain A Binding Site BS01

Receptor Information

>6qz2 Chain A (length=562) Species: 1547922 (Piscinibacter sakaiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PVPLASRAACEALKDGNGDMVWPNAATVVEVAAWRDAAPATASAAALPEH
CEVSGAIAKRTGIDGYPYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAAT
GSIGGGQIASALSRNFATIATDGGHDNAVNDNPDALGTVAFGLDPQARLD
MGYNSYDQVTQAGKAAVARFYGRAADKSYFIGCSEGGREGMMLSQRFPSH
YDGIVAGAPGYQLPKAGISGAWTTQSLAPAAVGLDAQGVPLINKSFSDAD
LHLLSQAILGTCDALDGLADGIVDNYRACQAAFDPATAANPANGQALQCV
GAKTADCLSPVQVTAIKRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYN
QGWRSWWLGSFNSSANNAQRVSGFSARSWLVDFATPPEPMPMTQVAARMM
KFDFDIDPLKIWATSGQFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMS
DAAFSALDTADYYERLGAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDML
TPLVAWVERGEAPDQISAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDI
NTEANFACAAPP

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

6qz2 Chain A Residue 801 [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	6qz2 Characterization and engineering of a two-enzyme system for plastics depolymerization.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	D304 D307 L309 D311 I313
Binding residue (residue number reindexed from 1)	D263 D266 L268 D270 I272
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.1.102: mono(ethylene terephthalate) hydrolase.

External links

PDB	RCSB:6qz2, PDBe:6qz2, PDBj:6qz2
PDBsum	6qz2
PubMed	32989159
UniProt	A0A0K8P8E7\|MHETH_PISS1 Mono(2-hydroxyethyl) terephthalate hydrolase (Gene Name=ISF6_0224)

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