Structure of PDB 5fpo Chain A Binding Site BS03

Receptor Information
>5fpo Chain A (length=305) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLSSRVNELHDLLNQYSYEYYVENPSVPDSEYDKLLHELIKIEEEHPEYK
TVDSPTVRVGGEAQASFNKVNHDTPMLSLGNAFNEDDLRKFDQRIREQIG
NVEYMCELKIDGLAVSLKYVDGYFVQGLTRGDGTTGEDITENLKTIHAIP
LKMKEPLNVEVRGEAYMPRRSFLRLNEEKEKNEQLFANPRNAAAGSLRQL
DSKLTAKRKLSVFIYSVNDFTDFNARSQSEALDELDKLGFTTNKNRARVN
NIDGVLEYIEKWTSQRESLPYDIDGIVIKVNDLDQQDEMGFTQKSPRWAI
AYKFP
Ligand information
Ligand ID10L
InChIInChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)
InChIKeyOTFFCAGPSWJBDK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1cccc2cn[nH]c12
OpenEye OEToolkits 1.9.2c1cc2cn[nH]c2c(c1)N
ACDLabs 12.01n2cc1cccc(c1n2)N
FormulaC7 H7 N3
Name1H-indazol-7-amine
ChEMBLCHEMBL463676
DrugBank
ZINCZINC000000112557
PDB chain5fpo Chain A Residue 1312 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5fpo Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		R172 F175 P193 D276
Binding residue
(residue number reindexed from 1)		R169 F172 P189 D272
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E110 K112 D114 Y219 K307
Catalytic site (residue number reindexed from 1) E107 K109 D111 Y215 K303
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:5fpo, PDBe:5fpo, PDBj:5fpo
PDBsum5fpo
PubMed26655740
UniProtQ9AIU7|DNLJ_STAAU DNA ligase (Gene Name=ligA)

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