Structure of PDB 8for Chain F Binding Site BS01

Receptor Information
>8for Chain F (length=249) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKASSLRALKLMHLATSANDDDTDEKVIALCHQAKTPVGTTDAIFIYPRF
IPIARKTLKEQGTPEIRICTSTNFPHGNDDIDIALAETRAAIAYGADSVA
VVFPYRALMAGNEQVGFDLVKACKEACAAANVLLAVIIETGELKDEALIR
KASEISIKAGADNIVTSTGKVAVGATPESARIMMEVIRDMGVEKTVGFIP
VGGVRTAEDAQKYLAIADELFGADWADARHYAFGASASLLASLLKALGH
Ligand information
Ligand ID6NT
InChIInChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChIKeyAOCDQWRMYHJTMY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1[N+](=O)[O-])[nH]nn2
CACTVS 3.370[O-][N+](=O)c1ccc2nn[nH]c2c1
ACDLabs 12.01[O-][N+](=O)c1ccc2nnnc2c1
FormulaC6 H4 N4 O2
Name6-NITROBENZOTRIAZOLE
ChEMBLCHEMBL1414349
DrugBank
ZINCZINC000005425432
PDB chain8for Chain F Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8for Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F48 A103 V204 G237
Binding residue
(residue number reindexed from 1)		F45 A100 V201 G234
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.4: deoxyribose-phosphate aldolase.
Gene Ontology
Molecular Function
GO:0004139 deoxyribose-phosphate aldolase activity
GO:0016829 lyase activity
Biological Process
GO:0009264 deoxyribonucleotide catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8for, PDBe:8for, PDBj:8for
PDBsum8for
PubMed
UniProtP0A6L0|DEOC_ECOLI Deoxyribose-phosphate aldolase (Gene Name=deoC)

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