Structure of PDB 1jdz Chain B Binding Site BS02

Receptor Information
>1jdz Chain B (length=226) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVHILAKKGEVAERVLVVGDPGRARLLSTLLQNPKLTNENRGFLVYTGKY
NGETVSIATHGIGGPSIAIVLEELAMLGANVFIRYGTTGALVPYINLGEY
IIVTGASYNQGGLFYQYLRDNACVASTPDFELTNKLVTSFSKRNLKYYVG
NVFSSDAFYAEDEEFVKKWSSRGNIAVEMECATLFTLSKVKGWKSATVLV
VSDNLAEELEKSVMDGAKAVLDTLTS
Ligand information
Ligand IDFMB
InChIInChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
InChIKeyMTCJZZBQNCXKAP-KSYZLYKTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C(=O)NC=Nc23
ACDLabs 10.04O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2n[nH]c3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
FormulaC10 H12 N4 O5
NameFORMYCIN B
ChEMBLCHEMBL1232777
DrugBankDB04198
ZINCZINC000008577182
PDB chain1jdz Chain B Residue 275 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jdz Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I64 T89 T90 G91 M181 E182 D205
Binding residue
(residue number reindexed from 1)		I62 T87 T88 G89 M179 E180 D203
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H5 G21 R25 R43 E75 R86 T89 S204 D205 L207 L219
Catalytic site (residue number reindexed from 1) H3 G19 R23 R41 E73 R84 T87 S202 D203 L205 L209
Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.
2.4.2.28: S-methyl-5'-thioadenosine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0017061 S-methyl-5-thioadenosine phosphorylase activity
Biological Process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1jdz, PDBe:1jdz, PDBj:1jdz
PDBsum1jdz
PubMed11489901
UniProtP50389|PNPH_SACS2 Purine nucleoside phosphorylase (Gene Name=SSO2706)

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