Structure of PDB 6b2q Chain D

Receptor sequence
>6b2qD (length=260) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
PRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDP
EFIERFRAEARTTAMLNHPGIASVHDYGESRTAYLVMELVNGEPLNSVLK
RTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKIT
DFGIAKVMGTAQYIAPEQALGSPASDVYSLGVVGYEAVSGKRPFAGDGAL
TVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAA
VRAGRRPPRP
3D structure
PDB6b2q Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ChainD
Resolution2.88 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D141 K143 N146 D159 T180
Catalytic site (residue number reindexed from 1) D133 K135 N138 D151 T160
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 CJJ D I19 A20 V27 A40 K42 V98 G100 L148 T158 I17 A18 V25 A38 K40 V90 G92 L140 T150 PDBbind-CN: -logKd/Ki=8.05,Ki=9nM
BindingDB: Ki=9.0nM
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:6b2q, PDBe:6b2q, PDBj:6b2q
PDBsum6b2q
PubMed29259738
UniProtP9WI83|PKNA_MYCTU Serine/threonine-protein kinase PknA (Gene Name=pknA)

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