Structure of PDB 8qst Chain A Binding Site BS01

Receptor Information

>8qst Chain A (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 A 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)	H212 K257 I296 T297 E298 F337
Binding residue (residue number reindexed from 1)	H209 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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