Structure of PDB 6jtt Chain C Binding Site BS02

Receptor Information
>6jtt Chain C (length=557) Species: 1547922 (Piscinibacter sakaiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPLASRAACEALKDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSG
AIAKRTGIDGYPYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGG
GQIASALSRNFATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNS
YDQVTQAGKAAVARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIV
AGAPGYQLPKAGISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLS
QAILGTCDALDGLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTA
DCLSPVQVTAIKRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRS
WWLGSFNSSANNAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFD
IDPLKIWATSGQFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFS
ALDTADYYERLGAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVA
WVERGEAPDQISAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEAN
FACAAPP
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 chain6jtt Chain C Residue 702 [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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PDB6jtt Decomposition of PET film by MHETase using Exo-PETase function
Resolution2.51 Å
Binding residue
(original residue number in PDB)
D304 D307 L309 D311 I313
Binding residue
(residue number reindexed from 1)
D258 D261 L263 D265 I267
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.102: mono(ethylene terephthalate) hydrolase.
External links
PDB RCSB:6jtt, PDBe:6jtt, PDBj:6jtt
PDBsum6jtt
PubMed
UniProtA0A0K8P8E7|MHETH_PISS1 Mono(2-hydroxyethyl) terephthalate hydrolase (Gene Name=ISF6_0224)

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