Structure of PDB 5xnz Chain A Binding Site BS02

Receptor Information
>5xnz Chain A (length=439) Species: 66881 (Streptomyces cremeus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DELLDCGLLSPVRAGTPVEALVCDSAWLQAMLDAEAALTRAQARTGFLPA
AAAEAITAAARADRIDLLAVARGARETANPVVGLVAALTAAVRRDDPAAA
EYVHRGSTSQDVLDTGAMLVARRALRLIGDDLDRAADALAALAADHRDTP
MAGRTLALHAVPTTFGLKAAGWLELVSEAAGRVARLRDGLPFSLGGAAGT
LAGYFDPAVLLDRLLDAYAAETGLARPVLPWHVLRTPVADLAAVLAFTAG
ALGKIAVDVQSLARTEVAEVAEPAPHKRNPVLSTLIRSAALQVPALATGL
TQCLVSEDERSAGAWHAEWQPLRECLRLTGGAARTAVELAAGLEVDAARM
RANLDLTDGRIVSESVAVALTPLLGRQAAKELLTRAAFTAGHEGRTLGEV
LGELPELDGVLPKERWEALLDPARATGVAGALVDGALAR
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 chain5xnz Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xnz Crystal structure of the nitrosuccinate lyase CreD in complex with fumarate provides insights into the catalytic mechanism for nitrous acid elimination
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R121 R124 R185
Binding residue
(residue number reindexed from 1)		R123 R126 R187
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N77 T153 L154 K292 T299
Catalytic site (residue number reindexed from 1) N79 T155 L156 K277 T284
Enzyme Commision number 4.3.99.5: nitrosuccinate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0019619 3,4-dihydroxybenzoate catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5xnz, PDBe:5xnz, PDBj:5xnz
PDBsum5xnz
PubMed29505698
UniProtA0A0K2JL82|CRED_STRCM Nitrosuccinate lyase (Gene Name=creD)

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