Structure of PDB 2o05 Chain A Binding Site BS01
Receptor Information
>2o05 Chain A (length=286) Species:
9606
(Homo sapiens) [
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AIREGWFRETCSLWPGQALSLQVEQLLHHRRSRYQDILVFRSKTYGNVLV
LDGVIQCTERDEFSYQEMIANLPLCSHPNPRKVLIIGGGDGGVLREVVKH
PSVESVVQCEIDEDVIQVSKKFLPGMAIGYSSSKLTLHVGDGFEFMKQNQ
DAFDVIITDSSDPMGPAESLFKESYYQLMKTALKEDGVLCCQGECQWLHL
DLIKEMRQFCQSLFPVVAYAYCTIPTYPSGQIGFMLCSKNPSTNFQEPVQ
PLTQQQVAQMQLKYYNSDVHRAAFVLPEFARKALND
Ligand information
Ligand ID
MTA
InChI
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
WUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04
n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341
CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Formula
C11 H15 N5 O3 S
Name
5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBL
CHEMBL277041
DrugBank
DB02282
ZINC
ZINC000004228245
PDB chain
2o05 Chain A Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
2o05
Structure and mechanism of spermidine synthases.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
G101 G102 D104 E124 I125 G154 D155 G156 D173 S175 P180 A181 L184
Binding residue
(residue number reindexed from 1)
G87 G88 D90 E110 I111 G140 D141 G142 D159 S161 P166 A167 L170
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.5.1.16
: spermidine synthase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0004766
spermidine synthase activity
GO:0005515
protein binding
GO:0016740
transferase activity
GO:0042802
identical protein binding
GO:0042803
protein homodimerization activity
Biological Process
GO:0006595
polyamine metabolic process
GO:0008295
spermidine biosynthetic process
GO:1990830
cellular response to leukemia inhibitory factor
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:2o05
,
PDBe:2o05
,
PDBj:2o05
PDBsum
2o05
PubMed
17585781
UniProt
P19623
|SPEE_HUMAN Spermidine synthase (Gene Name=SRM)
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