Structure of PDB 8of7 Chain A Binding Site BS03

Receptor Information
>8of7 Chain A (length=139) Species: 376149 (Streptomyces sp. NL15-2K) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVTVELVEKVTKKDLNESGSIEGFGPGMMATYWCDVFDTEGKHIGTTVG
CMDILYADPESGHLVEHVAEQIRLPDGTIMAWGTMNRSDVLAQKWITYRC
QGTSGRYAGLVGTRTWRIQSLEDESYPIVAKMELRGALE
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain8of7 Chain A Residue 210 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8of7 Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		W90 Q109
Binding residue
(residue number reindexed from 1)		W82 Q101
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8of7, PDBe:8of7, PDBj:8of7
PDBsum8of7
PubMed37305956
UniProtA0A401MXE6

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