Structure of PDB 4tmc Chain B Binding Site BS02

Receptor Information
>4tmc Chain B (length=398) Species: 4911 (Kluyveromyces marxianus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSYMNFDPKPLGDTNIFKPIKIGNNELKHRVVMPALTRMRAIAPGNIPNT
EWAEEYYRQRSQYPGTLIITEGTFPSAQSGGYPNVPGIWSKEQLAEWKKI
FNAIHENKSFVWVQLWVLGRQAWPEVLKKEGLRYDSATDDLYMGEEEKER
ALKANNPQHGITKEEIKQYIKEYVDAAKKAIDAGADGVQIHSANGYLLNQ
FLDPISNNRTDEYGGSIENRARFTLEVVDAVVDAVGAERTSIRFSPYGTF
GTMSGGENPGIVAQYAYVIGELEKRARAGKRLAFIDLVEPRVTDPFLPEF
EKWFKEGTNEFIYSIWKGPVLRVGNYALDPDQATLDSKKPNTLIGYGRSF
IANPDLVYRLEKGLPLNKYDRNTFYTFTKEGYTDYPSYEESVAKGYKK
Ligand information
Ligand IDHBA
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKeyRGHHSNMVTDWUBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=O)O
CACTVS 3.341Oc1ccc(C=O)cc1
ACDLabs 10.04O=Cc1ccc(O)cc1
FormulaC7 H6 O2
NameP-HYDROXYBENZALDEHYDE
ChEMBLCHEMBL14193
DrugBankDB03560
ZINCZINC000000156709
PDB chain4tmc Chain B Residue 502 [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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PDB4tmc An Engineered Old Yellow Enzyme that Enables Efficient Synthesis of (4R,6R)-Actinol in a One-Pot Reduction System
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T37 W116 H191 N194 Y196 F296 Y375
Binding residue
(residue number reindexed from 1)		T37 W116 H191 N194 Y196 F296 Y375
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T37 H191 N194 Y196 R243 G251
Catalytic site (residue number reindexed from 1) T37 H191 N194 Y196 R243 G251
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003959 NADPH dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4tmc, PDBe:4tmc, PDBj:4tmc
PDBsum4tmc
PubMed25639703
UniProtQ6I7B7

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