Structure of PDB 6jtu Chain B Binding Site BS01

Receptor Information
>6jtu Chain B (length=561) Species: 1547922 (Piscinibacter sakaiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPLASRAACEALKDGNGDMVWPNAATVVEVAAWRDAAPATASAAALPEHC
EVSGAIAKRTGIDGYPYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATG
SIGGGQIASALSRNFATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDM
GYNSYDQVTQAGKAAVARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHY
DGIVAGAPGYQLPKAGISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADL
HLLSQAILGTCDALDGLADGIVDNYRACQAAFDPATAANPANGQALQCVG
AKTADCLSPVQVTAIKRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQ
GWRSWWLGSFNSSANNAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMK
FDFDIDPLKIWATSGQFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSD
AAFSALDTADYYERLGAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLT
PLVAWVERGEAPDQISAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDIN
TEANFACAAPP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6jtu Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6jtu Decomposition of PET film by MHETase using Exo-PETase function
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D304 D307 L309 D311 I313
Binding residue
(residue number reindexed from 1)		D262 D265 L267 D269 I271
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.102: mono(ethylene terephthalate) hydrolase.
External links
PDB RCSB:6jtu, PDBe:6jtu, PDBj:6jtu
PDBsum6jtu
PubMed
UniProtA0A0K8P8E7|MHETH_PISS1 Mono(2-hydroxyethyl) terephthalate hydrolase (Gene Name=ISF6_0224)

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