Structure of PDB 4bae Chain A

Receptor sequence
>4baeA (length=184) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence]
GLEAVRKRPGMYIGSTGERGLHHLIWEVVDNAVDEAMAGFATRVDVKIHA
DGSVEVRDDGRGIPVEMHATGMPTIDVVMTQLHGVGVSVVNALSTRLEAT
VLRDGYEWFQYYDRSVPGKLKQGGETKETGTTIRFWADPEIFETTDYNFE
TVARRLQEMAFLNKGLTIELTDERDGKHRVFHYP
3D structure
PDB4bae Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis.
ChainA
Resolution2.35 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 RWX A N52 E56 D79 R82 G83 I84 P85 V125 R141 T169 N31 E35 D58 R61 G62 I63 P64 V87 R103 T131 MOAD: ic50=3nM
PDBbind-CN: -logKd/Ki=8.52,IC50=3nM
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003918 DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
GO:0005524 ATP binding
Biological Process
GO:0006265 DNA topological change

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Molecular Function
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Biological Process
External links
PDB RCSB:4bae, PDBe:4bae, PDBj:4bae
PDBsum4bae
PubMed24126580
UniProtP0C559|GYRB_MYCSM DNA gyrase subunit B (Gene Name=gyrB)

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