Structure of PDB 6wng Chain B Binding Site BS02

Receptor Information
>6wng Chain B (length=466) Species: 1338014 (Elizabethkingia anophelis NUH1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDYRIESDLIGELKVPVNAYYGVQTQRAIDNFKISNDHLSDHPEFIKAFA
FVKKAAAQTNFELGLLDEIINKNIATACDEIIAGKMHKEFPTDMIQGGAG
TSMNMNANEVIANRALELMGHQKGEYQFCSPNDHVNLSQSTNDAYPTAIR
IALYNLNKTLVERLELLIQSFRKKADDLKDVIKMGRTQLQDAVPMTMGQE
FNAFANTLQEEIARLNTNADLFLETNMGATAIGTGLNAHPDYAVKCTENL
AKISGADVVLASDLVEATPDTGAYVIYSSAMKRMAVKLSKICNDLRLLAS
GPRAGLYEINLPKMQPGSSIMPGKVNPVIPEVVNQVCFKVIGNDLTVTFA
AEAGQLQLNVMEPVLTQSIMESIRFLKNAMDTLREKCIDGITANKEICLN
MVKNSIGIVTALNPYIGYKNSTKIAKEALDTGKSVYDLVLEHELLSKEKL
DEILAPENMLNPHTKF
Ligand information
Ligand IDFUM
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKeyVZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=CC(=O)O)C(=O)O
OpenEye OEToolkits 1.7.6C(=C/C(=O)O)\C(=O)O
CACTVS 3.370OC(=O)\C=C\C(O)=O
ACDLabs 12.01O=C(O)\C=C\C(=O)O
CACTVS 3.370OC(=O)C=CC(O)=O
FormulaC4 H4 O4
NameFUMARIC ACID
ChEMBLCHEMBL503160
DrugBankDB01677
ZINCZINC000003860193
PDB chain6wng Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wng Crystal structure of an aspartate ammonia-lyase from Elizabethkingia anophelis NUHP1
Resolution1.55 Å
Binding residue
(original residue number in PDB)		S327 S328 M330 K333
Binding residue
(residue number reindexed from 1)		S318 S319 M321 K324
Annotation score5
Enzymatic activity
Enzyme Commision number 4.3.1.1: aspartate ammonia-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008797 aspartate ammonia-lyase activity
GO:0016829 lyase activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006520 amino acid metabolic process
GO:0006531 aspartate metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wng, PDBe:6wng, PDBj:6wng
PDBsum6wng
PubMed
UniProtA0A077EBQ3

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