Structure of PDB 8qst Chain B Binding Site BS01

Receptor Information

>8qst Chain B (length=383) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NAFANLQKVGKSLMLPVSVLPIAGILLGVGSANFSWLPAVVSHVMAEAGG
SVFANMPLIFAIGVALGFTNNDGVSALAAVVAYGIMVKTMAVVAPLVLHL
PAEEIASKHLADTGVLGGIISGAIAAYMFNRFYRIKLPEYLGFFAGKRFV
PIISGLAAIFTGVVLSFIWPPIGSAIQTFSQWAAYQNPVVAFGIYGFIER
CLVPFGLHHIWNVPFQMQIGEYTNAAGQVFHGDIPRYMAGDPTAGKLSGG
FLFKMYGLPAAAIAIWHSAKPENRAKVGGIMISAALTSFLTGITEPIEFS
FMFVAPILYIIHAILAGLAFPICILLGMRDGTSFSHGLIDFIVLSGNSSK
LWLFPIVGIGYAIVYYTIFRVLIKALDLKTPGR

Ligand information

Ligand ID

BGC

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-VFUOTHLCSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

beta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose

PDB chain

8qst Chain B Residue 501 [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	8qst Cryo-EM structure of the glucose-specific PTS transporter IICB from E. coli in the inward-open state
Resolution	2.89 Å
Binding residue (original residue number in PDB)	E202 R203 H211 K257 I296 T297 E298 F337
Binding residue (residue number reindexed from 1)	E199 R200 H208 K254 I293 T294 E295 F334
Annotation score	5

External links

PDB	RCSB:8qst, PDBe:8qst, PDBj:8qst
PDBsum	8qst
PubMed
UniProt	P69786\|PTGCB_ECOLI PTS system glucose-specific EIICB component (Gene Name=ptsG)

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