Structure of PDB 4m1e Chain C Binding Site BS01

Receptor Information
>4m1e Chain C (length=273) Species: 521674 (Planctopirus limnophila DSM 3776) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELKSRIDQATAKISQLWQGEPAVGMILGTGLGGLAEQIEQDIAIPYSDI
PHFPTSTVKSHAGRLVCGRLRGIPIVAMEGRFHYYEGYSLEQVTFPVRVM
KAMGVKTLLVTNAAGGINPQLDLSDVLIIEDHINLMPENPLRGPNDEELG
PRFPDMSHPYDCQHMEVARQVALELGIHCPKGVFVAVSGPNLETRAEYRM
LKLMGADVVGMSTVPEVLVAVHAGLRVLGFSVVTDLCLPDALEPVELNKI
LEVAARGGAKLARLIPEILPRIA
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 chain4m1e Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m1e Crystal structure of purine nucleoside phosphorylase I from Planctomyces limnophilus DSM 3776, NYSGRC Target 029364.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A115 G116 L193 E194 M212 D236
Binding residue
(residue number reindexed from 1)		A114 G115 L192 E193 M211 D235
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T31 H62 H84 Y86 E87 A114 M212 S213 D236 C238 L248
Catalytic site (residue number reindexed from 1) T30 H61 H83 Y85 E86 A113 M211 S212 D235 C237 L247
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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Biological Process
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Cellular Component
External links
PDB RCSB:4m1e, PDBe:4m1e, PDBj:4m1e
PDBsum4m1e
PubMed
UniProtD5SMY7

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