Structure of PDB 4ymi Chain B Binding Site BS01

Receptor Information
>4ymi Chain B (length=198) Species: 561007 (Mycobacteroides abscessus ATCC 19977) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERRRLGVMGGTFDPIHNGHLVAASEVADRFALDEVIFVPTGQPWQKQRKV
SPAEHRYLMTVIATASNPRFTVSRADIDRGGATYTVDTLTDLRTAHPDAD
LYFITGADALASILSWENWEQLFTLAKFIGVSRPGYELSSDHIAHAELPP
DGLSLVEVPALAISSTDCRIRAGQARPIWYLVPDGVVQYVAKHRLYSG
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain4ymi Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ymi Crystal structure of probable nicotinate-nucleotide adenylyltransferase from Mycobacterium abcessus in complex with NADP
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S71 N72 P73
Binding residue
(residue number reindexed from 1)		S66 N67 P68
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:4ymi, PDBe:4ymi, PDBj:4ymi
PDBsum4ymi
PubMed
UniProtB1MMZ4

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