Structure of PDB 6xz2 Chain B Binding Site BS01

Receptor Information

>6xz2 Chain B (length=237) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTG
TYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKL
RDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARV
GNLFSADLFWSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTIC
TVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDK

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

6xz2 Chain B 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	6xz2 Single tryptophan Y160W mutant of homooligomeric E. coli purine nucleoside phosphorylase implies that dimers forming the hexamer are functionally not equivalent.
Resolution	1.65 Å
Binding residue (original residue number in PDB)	M64 S90 F159 V178 E179 M180 E181 D204
Binding residue (residue number reindexed from 1)	M64 S90 F159 V178 E179 M180 E181 D204
Annotation score	2

Enzymatic activity

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:6xz2, PDBe:6xz2, PDBj:6xz2
PDBsum	6xz2
PubMed	34045551
UniProt	P0ABP8\|DEOD_ECOLI Purine nucleoside phosphorylase DeoD-type (Gene Name=deoD)

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