Structure of PDB 4ndz Chain B Binding Site BS01

Receptor Information

>4ndz Chain B (length=654) Species: 9031,83333 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQV
AATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYN
GKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFN
LQEPYFTWPLIAADGGYAFKYEYDIKDVGVDNAGAKAGLTFLVDLIKNKH
MNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQ
PSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVA
LKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASG
RQTVDAALAAAQTNAAADEEDDVVIIYNRVPKTASTSFTNIAYDLCAKNR
YHVLHINTTKNNPVMSLQDQVRFVKNVTSWKEMKPGFYHGHVSYLDFAKF
GVKKKPIYINVIRDPIERLVSYYYFLRFGDDYRPGLRRRKQGDKKTFDEC
VAAGGSDCAPEKLWLQIPFFCGHSSECWNVGSRWALEQAKYNLINEYFLV
GVTEELEDFIMLLEAALPRFFRGATELYRTGKKSHLRKTTEKKLPTKETI
AKLQQSEIWKMENEFYEFALEQFQFVRAHAVREKDGELYILAQNFFYEKI
YPKS

Ligand information

Ligand ID

GNS

InChI

InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1

InChIKey

PRDZVHCOEWJPOB-UKFBFLRUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.2	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O
ACDLabs 12.01	O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO
CACTVS 3.370	OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2	C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O
CACTVS 3.370	OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O)[CH]1O

Formula

C6 H13 N O8 S

Name

2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose;
N-SULFO-ALPHA-D-GLUCOSAMINE;
2-deoxy-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-2-(sulfoamino)-D-glucose;
2-deoxy-2-(sulfoamino)-glucose

PDB chain

4ndz Chain G Residue 4 [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	4ndz Deciphering the role of 2-O-sulfotransferase in regulating heparan sulfate biosynthesis
Resolution	3.45 Å
Binding residue (original residue number in PDB)	E1349 K1350
Binding residue (residue number reindexed from 1)	E648 K649
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.8.2.-

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0008146	sulfotransferase activity
GO:0015144	carbohydrate transmembrane transporter activity
GO:1901982	maltose binding

	Biological Process
GO:0006974	DNA damage response
GO:0008643	carbohydrate transport
GO:0015768	maltose transport
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: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:4ndz, PDBe:4ndz, PDBj:4ndz
PDBsum	4ndz
PubMed
UniProt	P0AEX9\|MALE_ECOLI Maltose/maltodextrin-binding periplasmic protein (Gene Name=malE); Q76KB1

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