Structure of PDB 5vir Chain B Binding Site BS02

Receptor Information
>5vir Chain B (length=196) Species: 561007 (Mycobacteroides abscessus ATCC 19977) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRLGVMGGTFDPIHNGHLVAASEVADRFALDEVIFVPTGQPWQKQRKVS
PAEHRYLMTVIATASNPRFTVSRADIDRGGATYTVDTLTDLRTAHPDADL
YFITGADALASILSWENWEQLFTLAKFIGVSRPGYELSSDHIAHAELPPD
GLSLVEVPALAISSTDCRIRAGQARPIWYLVPDGVVQYVAKHRLYS
Ligand information
Ligand ID9CG
InChIInChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2
InChIKeyUKOVZLWSUZKTRL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1ccc3C(=O)OCc2c3c1ccc2
OpenEye OEToolkits 2.0.6c1cc2cccc3c2c(c1)COC3=O
CACTVS 3.385O=C1OCc2cccc3cccc1c23
FormulaC12 H8 O2
Name1H,3H-naphtho[1,8-cd]pyran-1-one
ChEMBLCHEMBL1479195
DrugBank
ZINCZINC000000247810
PDB chain5vir Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vir Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abcesus in complex with NADP and compound FOL0091
Resolution1.7 Å
Binding residue
(original residue number in PDB)		W184 Y185
Binding residue
(residue number reindexed from 1)		W178 Y179
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.18: nicotinate-nucleotide adenylyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004515 nicotinate-nucleotide adenylyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0070566 adenylyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0009435 NAD biosynthetic process
GO:0019363 pyridine nucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5vir, PDBe:5vir, PDBj:5vir
PDBsum5vir
PubMed
UniProtB1MMZ4

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