Structure of PDB 3ori Chain D Binding Site BS02

Receptor Information

>3ori Chain D (length=267) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RYELGEILGFGGMSEVHLARDLRDHRDVAVKVLRADLARDPSFYLRFRRE
AQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGVTLRDIVHTEGP
MTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISATNAVKVMDFGI
ARAIGTAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPFTGDSPVS
VAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTAAEMRADL
VRVHNGEPPEAPKVLTD

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

3ori Chain D Residue 641 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3ori Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr protein kinase, PknB.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	E59 D156
Binding residue (residue number reindexed from 1)	E50 D147
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D138 K140 A142 N143 D156 T179
Catalytic site (residue number reindexed from 1)	D129 K131 A133 N134 D147 T156
Enzyme Commision number	2.7.11.1: non-specific serine/threonine protein kinase.

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:3ori, PDBe:3ori, PDBj:3ori
PDBsum	3ori
PubMed	21134645
UniProt	P9WI81\|PKNB_MYCTU Serine/threonine-protein kinase PknB (Gene Name=pknB)

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