Structure of PDB 5u94 Chain A

Receptor sequence
>5u94A (length=263) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
TPSHLSDRYELGEILGFGGMSEVHLARDLRLHRDVAVKVLRADLARDPSF
YLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRD
IVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAV
KVMDFGIARAIIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPP
FTGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQT
AAEMRADLVRVHN
3D structure
PDB5u94 In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with beta-Lactams To Inhibit Mycobacterial Growth.
ChainA
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D138 K140 N143 D156 T179
Catalytic site (residue number reindexed from 1) D136 K138 N141 D154 T164
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
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 G93 A V25 K40 E59 M92 E93 V95 M155 D156 V23 K38 E57 M90 E91 V93 M153 D154 PDBbind-CN: -logKd/Ki=7.19,Ki=64nM
BindingDB: Kd=3.2nM
BS02 MG A N143 D156 N141 D154
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:5u94, PDBe:5u94, PDBj:5u94
PDBsum5u94
PubMed30285456
UniProtP9WI81|PKNB_MYCTU Serine/threonine-protein kinase PknB (Gene Name=pknB)

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