Structure of PDB 3ao0 Chain C Binding Site BS01

Receptor Information
>3ao0 Chain C (length=453) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLKTTLFGNVYQFKDVKEVLAKANELRSGDVLAGVAAASSQERVAAKQV
LSEMTVADIRNNPVIAYEDDCVTRLIQDDVNETAYNQIKNWSISELREYV
LSDETSVDDIAFTRKGLTSEVVAAVAKICSNADLIYGAKKMPVIKKANTT
IGIPGTFSARLQPNDTRDDVQSIAAQIYEGLSFGVGDAVIGVNPVTDDVE
NLSRVLDTIYGVIDKFNIPTQGCVLAHVTTQIEAIRRGAPGGLIFQSICG
SEKGLKEFGVELAMLDEARAVGAEFNRIAGENCLYFETGQGSALSAGANF
GADQVTMEARNYGLARHYDPFIVNTVVGFIGPEYLYNDRQIIRAGLEDHF
MGKLSGISMGCDCCYTNHADADQNLNENLMILLATAGCNYIMGMPLGDDI
MLNYQTTAFHDTATVRQLLNLRPSPEFERWLESMGIMANGRLTKRAGDPS
LFF
Ligand information
Ligand ID2A1
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKeyBKMMTJMQCTUHRP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@@H](CO)N
CACTVS 3.352C[CH](N)CO
OpenEye OEToolkits 1.7.0CC(CO)N
CACTVS 3.352C[C@H](N)CO
FormulaC3 H9 N O
Name(2S)-2-aminopropan-1-ol
ChEMBLCHEMBL1229871
DrugBank
ZINCZINC000001576782
PDB chain3ao0 Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ao0 How coenzyme B12-dependent ethanolamine ammonia-lyase deals with both enantiomers of 2-amino-1-propanol as substrates: structure-based rationalization.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R160 Q162 N193 E287 F329 D362 L402 Y404
Binding residue
(residue number reindexed from 1)		R160 Q162 N193 E287 F329 D362 L402 Y404
Annotation score1
Enzymatic activity
Enzyme Commision number 4.3.1.7: ethanolamine ammonia-lyase.
Gene Ontology
Molecular Function
GO:0008851 ethanolamine ammonia-lyase activity
GO:0016829 lyase activity
GO:0031419 cobalamin binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0046336 ethanolamine catabolic process
Cellular Component
GO:0005829 cytosol
GO:0009350 ethanolamine ammonia-lyase complex
GO:0031469 bacterial microcompartment
GO:0031471 ethanolamine degradation polyhedral organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ao0, PDBe:3ao0, PDBj:3ao0
PDBsum3ao0
PubMed21142024
UniProtP0AEJ6|EUTB_ECOLI Ethanolamine ammonia-lyase large subunit (Gene Name=eutB)

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