Structure of PDB 4qvh Chain B Binding Site BS01

Receptor Information

>4qvh Chain B (length=595) Species: 83332,83333 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQV
AATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYN
GKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFN
LQEPYFTWPLIAADGGYAFKYGKYDIKDVGVDNAGAKAGLTFLVDLIKNK
HMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKG
QPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAV
ALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAAS
GRQTVDAALAAAQTNAAAMTVGTLVASVLPATVFEDLAYAELYSDPPGLT
PLPEEAPLIARSVAKRRNEFITVRHCARIALDQLGVPPAPILKGDKGEPC
WPDGMVGSLTHCAGYRGAVVGRRDAVRSVGIDAEPHDVLPNGVLDAISLP
AERADMPRTMPAALHWDRILFCAKEATYKAWFPLTKRWLGFEDAHITFET
DSTGWTGRFVSRILIDGSTLSGPPLTTLRGRWSVERGLVLTAIVL

Ligand information

Ligand ID

GLC

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1

InChIKey

WQZGKKKJIJFFOK-DVKNGEFBSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

alpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose

PDB chain

4qvh Chain D Residue 1 [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	4qvh Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	D15 K16 E112 Y156 W231
Binding residue (residue number reindexed from 1)	D14 K15 E111 Y155 W228
Annotation score	1

Enzymatic activity

Enzyme Commision number

?
2.7.8.7: holo-[acyl-carrier-protein] synthase.

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
GO:0005515	protein binding
GO:0008897	holo-[acyl-carrier-protein] synthase activity
GO:0015144	carbohydrate transmembrane transporter activity
GO:0016740	transferase activity
GO:0046872	metal ion binding
GO:1901982	maltose binding

	Biological Process
GO:0006974	DNA damage response
GO:0008643	carbohydrate transport
GO:0009237	siderophore metabolic process
GO:0015768	maltose transport
GO:0019290	siderophore biosynthetic process
GO:0034219	carbohydrate transmembrane transport
GO:0034289	detection of maltose stimulus
GO:0042956	maltodextrin transmembrane transport
GO:0055085	transmembrane transport
GO:0060326	cell chemotaxis

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane
GO:0030288	outer membrane-bounded periplasmic space
GO:0042597	periplasmic space
GO:0043190	ATP-binding cassette (ABC) transporter complex
GO:0055052	ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
GO:1990060	maltose transport complex

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:4qvh, PDBe:4qvh, PDBj:4qvh
PDBsum	4qvh
PubMed	25450595
UniProt	O33336\|PPTT_MYCTU 4'-phosphopantetheinyl transferase PptT (Gene Name=pptT); P0AEX9\|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE)

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