Structure of PDB 4lna Chain A Binding Site BS01

Receptor Information
>4lna Chain A (length=269) Species: 504472 (Spirosoma linguale DSM 74) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMFEQIQETTQFIQSKITLRPAIGIILGTGLGALTNELDIDTTIPYETIP
HFPLSTVSGKLLIGTLGGKSVVVMQGRFHYYEGYTMQQVTYPVRVMHALG
IQTLLVSNAAGGMNPTFQTSDLMVIDDHISLLLPQNPLICPNPPIFGDRF
PDMSEPYRKSLIDLAFSVAAELDIPLKRGVYVSVTGPQLETRAEYRMLRQ
WGADAVGMSTVPEVIVANQLGMDVFGISVITDLCFPDTLEKAELVKILAT
AAQAEPKLTMLIREMIGRL
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain4lna Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lna Crystal structure of purine nucleoside phosphorylase I from Spirosoma linguale DSM 74, NYSGRC Target 029362
Resolution2.1 Å
Binding residue
(original residue number in PDB)		A112 G113 E192 M210 D234
Binding residue
(residue number reindexed from 1)		A110 G111 E190 M208 D232
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T28 H81 Y83 E84 A111 M210 S211 D234 C236 L246
Catalytic site (residue number reindexed from 1) T29 H79 Y81 E82 A109 M208 S209 D232 C234 L244
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
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:4lna, PDBe:4lna, PDBj:4lna
PDBsum4lna
PubMed
UniProtD2QIK7

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