Structure of PDB 6aid Chain A Binding Site BS04

Receptor Information
>6aid Chain A (length=261) Species: 53522 (Thermobifida alba) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNT
YGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQL
NAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAI
PLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAY
LELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLS
DVEEYRSTCPF
Ligand information
Ligand IDLAC
InChIInChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
InChIKeyJVTAAEKCZFNVCJ-UWTATZPHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(O)C
CACTVS 3.341C[CH](O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)O
CACTVS 3.341C[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)O
FormulaC3 H6 O3
NameLACTIC ACID
ChEMBLCHEMBL358850
DrugBankDB03066
ZINCZINC000004658562
PDB chain6aid Chain A Residue 407 [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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PDB6aid Structural insights into the unique polylactate-degrading mechanism of Thermobifida alba cutinase.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		Y99 M170 W194 I217
Binding residue
(residue number reindexed from 1)		Y60 M131 W155 I178
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.101: poly(ethylene terephthalate) hydrolase.
3.1.1.74: cutinase.
External links
PDB RCSB:6aid, PDBe:6aid, PDBj:6aid
PDBsum6aid
PubMed30761732
UniProtF7IX06|PETH2_THEAE Cutinase est2 (Gene Name=est2)

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