Structure of PDB 5iu6 Chain B Binding Site BS01

Receptor Information
>5iu6 Chain B (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
TVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDK
Ligand information
Ligand ID7HX
InChIInChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKeyFBMZEITWVNHWJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1c[nH]c2c1c(ncn2)O
ACDLabs 12.01Oc1c2c(ncn1)ncc2
CACTVS 3.385Oc1ncnc2[nH]ccc12
FormulaC6 H5 N3 O
Name7H-pyrrolo[2,3-d]pyrimidin-4-ol
ChEMBLCHEMBL186582
DrugBank
ZINCZINC000008638189
PDB chain5iu6 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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PDB5iu6 Crystal structure of Escherichia coli purine nucleoside phosphorylase in complex with 7-deazahypoxanthine.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		G92 F159 V178 I206
Binding residue
(residue number reindexed from 1)		G92 F159 V178 I206
Annotation score2
Binding affinityPDBbind-CN: -logKd/Ki=3.89,Ki=0.13mM
Enzymatic activity
Catalytic site (original residue number in PDB) H4 G20 R24 R43 E75 R87 S90 S203 D204 I206 R217
Catalytic site (residue number reindexed from 1) H4 G20 R24 R43 E75 R87 S90 S203 D204 I206 R217
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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Biological Process
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Cellular Component
External links
PDB RCSB:5iu6, PDBe:5iu6, PDBj:5iu6
PDBsum5iu6
PubMed29870020
UniProtP0ABP8|DEOD_ECOLI Purine nucleoside phosphorylase DeoD-type (Gene Name=deoD)

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