Structure of PDB 4ktp Chain B Binding Site BS01

Receptor Information

>4ktp Chain B (length=761) Species: 439292 ([Bacillus] selenitireducens MLS10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MHEIGEHLTTNTGWDIIKNRYEAAQAITEGSNFMIGNGFMGYRGTFAEDG
KDAYAACIVTDTWDKADGKWEELSTVPNALLTLLHVDGEPFIMSEEAASF
ERTLDLSQGVTSRKVSQRMKNGATITIHEEKFASYRKKHAVLMKYTVESD
QDTDAVLDTGIDYDVWSINGDHLQGHHYFSHPTGDGVTAKTVSYEDTVTV
VETCSLDADASEEDYQNPDGSGRTFPLSLEAGKPVTLEKAMIIYSSNDVD
NPQDEALLEAKHMQSYEEEKAANRLEWDNLWSHYDVTIQNNIIDQVALRF
NIYHAIIATPVHKSLPIGARGLSCQAYQGAAFWDQEIYNMPMYLYSNPEI
ARNILKYRHRTLDGARRKAKRLGYEGAYYAWISGKTGDELCPDFFFKDVL
SGRDIRNHFNDWQIHISPDIAYAVKKYHQVTGDDAFIRDYGAEMIFEIAR
FLASHAVYKPMRGRYEFMRVQGPDEYHENVDNNAFTNHQAMFTLQAADEL
LQTLDEKTLSAVKEKIGLSDDEISLWRDMLANTYVPKPDKHGIIEQFDGY
YDLETIIPAKKVTERLIKEDEYYGYPNGVTVRTQCIKQADVIQLFVLHPH
LYDRKTVELNYEFYEPRTLHFSSLSPSSYAIVAAQIDKVEEAYRNFRKSV
MIDLLNTNEAVSGGTFIGGIHTAANGASWQMVVNGFGGLSVHGDDIHLSP
RLPDAWDGYTFKAIVKGQTLEVDVTKEQITITNKSEDRKPLTLHIFGEKS
VLDSERITKSR

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

4ktp Chain B Residue 801 [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	4ktp Structural basis for reversible phosphorolysis and hydrolysis reactions of 2-O-alpha-glucosylglycerol phosphorylase
Resolution	1.9 Å
Binding residue (original residue number in PDB)	A319 F332 W333 D334 E475 K587 Q588
Binding residue (residue number reindexed from 1)	A319 F332 W333 D334 E475 K587 Q588
Annotation score	2

Enzymatic activity

Catalytic site (original residue number in PDB)	E475
Catalytic site (residue number reindexed from 1)	E475
Enzyme Commision number	2.4.1.332: 1,2-alpha-glucosylglycerol phosphorylase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016757	glycosyltransferase activity
GO:0030246	carbohydrate binding
GO:0046872	metal ion binding

	Biological Process
GO:0005975	carbohydrate metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:4ktp, PDBe:4ktp, PDBj:4ktp
PDBsum	4ktp
PubMed	24828502
UniProt	D6XZ22\|GGP_BACIE 1,2-alpha-glucosylglycerol phosphorylase (Gene Name=Bsel_2816)

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