Structure of PDB 4tti Chain F Binding Site BS01

Receptor Information

>4tti Chain F (length=237) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTG
TYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKL
RDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARV
GNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTIC
TVSAHIRTHEQTTAAEAQTTFNDMIKIALESVLLGDK

Ligand information

Ligand ID

FMC

InChI

InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1

InChIKey

KBHMEHLJSZMEMI-KSYZLYKTSA-N

SMILES

Software	SMILES
CACTVS 3.370	Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
CACTVS 3.370	Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 12.01	OC1C(OC(CO)C1O)c3nnc2c3ncnc2N
OpenEye OEToolkits 1.7.0	c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 1.7.0	c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Formula

C10 H13 N5 O4

Name

(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol

PDB chain

4tti Chain C Residue 301 [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	4tti Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis.
Resolution	1.89 Å
Binding residue (original residue number in PDB)	H4 R43
Binding residue (residue number reindexed from 1)	H4 R43
Annotation score	2

Enzymatic activity

Catalytic site (original residue number in PDB)	H4 G20 R24 R43 E75 R87 S90 S203 A204 I206 A217
Catalytic site (residue number reindexed from 1)	H4 G20 R24 R43 E75 R87 S90 S203 A204 I206 A217
Enzyme Commision number	2.4.2.1: purine-nucleoside phosphorylase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0004731	purine-nucleoside phosphorylase activity
GO:0016757	glycosyltransferase activity
GO:0016763	pentosyltransferase activity
GO:0042802	identical protein binding
GO:0047975	guanosine phosphorylase activity

	Biological Process
GO:0006139	nucleobase-containing compound metabolic process
GO:0006152	purine nucleoside catabolic process
GO:0006974	DNA damage response
GO:0009116	nucleoside metabolic process
GO:0009164	nucleoside catabolic process
GO:0019686	purine nucleoside interconversion
GO:0042278	purine nucleoside metabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0016020	membrane

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Molecular Function

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Cellular Component

External links

PDB	RCSB:4tti, PDBe:4tti, PDBj:4tti
PDBsum	4tti
PubMed	30337572
UniProt	P0ABP8\|DEOD_ECOLI Purine nucleoside phosphorylase DeoD-type (Gene Name=deoD)

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