Structure of PDB 3pr3 Chain B Binding Site BS01

Receptor Information

>3pr3 Chain B (length=577) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MEITNLKSYKELVTLSAEEKTKDLKDYLNDKNRSESLIKKFKNFYMDLSR
QRYSEKTLNKLVEYAEEVELKKKVEKTFMGEKVNMTENRSVLHTALRIPI
EKINTHKIIIDNKNVLEDVHGVLKKIEKYSDDIRNGVIKTCKNTKFKNVI
CIGIGGSYLGTEFVYEAMKYYYYNMELNKNEKDQVNNFNNNYDQDNVFNV
RFLANVDPNDVNRAIQNLDQYDTLVIIISKTFTTAETMLNARSIKKWLSL
KIKDDENLSKHMVAVSTNLKLTDEFGISRDNVFEFWDWVGGRFSVTSSVG
ILPLSIAFGYKNMRNFLNGCHDMDEHFLHADLKENIPVLLALTSFYNSHF
FDYKNVAILPYFQNLLKFSAHIQQLSMESNGKSVDRNNQPIHYNTCQVYF
GEPGTNGQHSFYQLIHQGQVIPVELIGFKHSHFPIKFDKEVVSNHDELMT
NFFAQADALAIGKTYEQVKEENEKNKMSPELLTHKVFNGNRPSTLLLFDE
LNFYTCGLLLSLYESRIVAEGFLLNINSFDQWGVELGKVLAKEVRNYFND
TRNQKKSDNTYNFNESTKILLNYYLSK

Ligand information

Ligand ID

F6P

InChI

InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

InChIKey

BGWGXPAPYGQALX-ARQDHWQXSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
CACTVS 3.341	OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O

Formula

C6 H13 O9 P

Name

6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose

PDB chain

3pr3 Chain B Residue 580 [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	3pr3 Crystal structure of Plasmodium falciparum glucose-6-phosphate isomerase (PF14_0341) in complex with fructose-6-phosphate
Resolution	2.45 Å
Binding residue (original residue number in PDB)	I156 G158 S231 K232 T233 T236 Q376 E380
Binding residue (residue number reindexed from 1)	I154 G156 S229 K230 T231 T234 Q374 E378
Annotation score	5

Enzymatic activity

Catalytic site (original residue number in PDB)	K232 E238 G293 R294 E380 H411 K540
Catalytic site (residue number reindexed from 1)	K230 E236 G291 R292 E378 H409 K538
Enzyme Commision number	5.3.1.9: glucose-6-phosphate isomerase.

Gene Ontology

	Molecular Function
GO:0004347	glucose-6-phosphate isomerase activity
GO:0016853	isomerase activity
GO:0048029	monosaccharide binding
GO:0097367	carbohydrate derivative binding

	Biological Process
GO:0006094	gluconeogenesis
GO:0006096	glycolytic process
GO:0006098	pentose-phosphate shunt
GO:0051156	glucose 6-phosphate metabolic process
GO:1901135	carbohydrate derivative metabolic process

	Cellular Component
GO:0005829	cytosol

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External links

PDB	RCSB:3pr3, PDBe:3pr3, PDBj:3pr3
PDBsum	3pr3
PubMed
UniProt	Q8ILA4

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