Structure of PDB 1oum Chain A Binding Site BS01
Receptor Information
>1oum Chain A (length=237) Species:
562
(Escherichia coli) [
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ATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTG
TYKGRKISVMGHGVGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKL
RDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARV
GNLFSADLFYSPDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTIC
TVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDK
Ligand information
Ligand ID
TAL
InChI
InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8-,9+,10+,12+/m0/s1
InChIKey
XJZDIUOABWMPLZ-DSBXBFMBSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(C)ncnc23
CACTVS 3.341
C[CH](O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(C)ncnc23
OpenEye OEToolkits 1.5.0
Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O
ACDLabs 10.04
n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C(O)C)C
OpenEye OEToolkits 1.5.0
Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C(C)O)O)O
Formula
C12 H16 N4 O4
Name
9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE
ChEMBL
CHEMBL1236184
DrugBank
DB02934
ZINC
ZINC000006521063
PDB chain
1oum Chain A Residue 245 [
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Receptor-Ligand Complex Structure
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PDB
1oum
Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
D21 S90 C91 F159 V178 M180 E181
Binding residue
(residue number reindexed from 1)
D21 S90 C91 F159 V178 M180 E181
Annotation score
2
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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External links
PDB
RCSB:1oum
,
PDBe:1oum
,
PDBj:1oum
PDBsum
1oum
PubMed
14700625
UniProt
P0ABP8
|DEOD_ECOLI Purine nucleoside phosphorylase DeoD-type (Gene Name=deoD)
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