Structure of PDB 5zrs Chain A Binding Site BS01

Receptor Information
>5zrs Chain A (length=263) Species: 1852 (Saccharomonospora viridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPQDNPYERGPDPTEDSIEAIRGPFSVATERVSSFASGFGGGTIYYPRET
DEGTFGAVAVAPGFTASQGSMSWYGERVASQGFIVFTIDTNTRLDQPGQR
GRQLLAALDYLVERSDRKVRERLDPNRLAVMGHAMGGGGSLEATVMRPSL
KASIPLTPWNLDKTWGQVQVPTFIIGAELDTIAPVSTHAKPFYESLPSSL
PKAYMELDGATHFAPNIPNTTIAKYVISWLKRFVDEDTRYSQFLCPNPTD
RAIEEYRSTCPYK
Ligand information
Ligand ID9J6
InChIInChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKeyUZNLHJCCGYKCIL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOC(=O)CCCCC(=O)O
CACTVS 3.385CCOC(=O)CCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCC(=O)OCC
FormulaC8 H14 O4
Name6-ethoxy-6-oxohexanoic acid;
Adipic acid monoethyl ester
ChEMBL
DrugBank
ZINCZINC000001648296
PDB chain5zrs Chain A Residue 401 [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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PDB5zrs Structural Dynamics of the PET-Degrading Cutinase-like Enzyme from Saccharomonospora viridis AHK190 in Substrate-Bound States Elucidates the Ca2+-Driven Catalytic Cycle.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		G105 F106 A176 M177 W201 H254
Binding residue
(residue number reindexed from 1)		G63 F64 A134 M135 W159 H212
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.74: cutinase.
External links