Structure of PDB 2ed3 Chain A Binding Site BS01
Receptor Information
>2ed3 Chain A (length=265) Species:
70601
(Pyrococcus horikoshii OT3) [
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MVLYFIGLGLYDERDITVKGLEIAKKCDYVFAEFYTSLMAGTTLGRIQKL
IGKEIRVLSREDVELNFENIVLPLAKENDVAFLTPGDPLVATTHAELRIR
AKRAGVESYVIHAPSIYSAVGITGLHMYKFGKSATVAYPEGNWFPTSYYD
VIKENAERGLHTLLFLDIKAEKRMYMTANEAMELLLKVEDMKKGGVFTDD
TLVVVLARAGSLNPTIRAGYVKDLIREDFGDPPHILIVPGKLHIVEAEYL
VEIAGAPREILRVNV
Ligand information
Ligand ID
SAH
InChI
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKey
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
Software
SMILES
CACTVS 3.341
N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04
O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Formula
C14 H20 N6 O5 S
Name
S-ADENOSYL-L-HOMOCYSTEINE
ChEMBL
CHEMBL418052
DrugBank
DB01752
ZINC
ZINC000004228232
PDB chain
2ed3 Chain A Residue 1301 [
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Receptor-Ligand Complex Structure
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PDB
2ed3
Mutant I127M structure of PH0725 from Pyrococcus horikoshii OT3
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
T36 S37 D87 S115 I116 F165 L166 R208 A209 P233 H234 I235
Binding residue
(residue number reindexed from 1)
T36 S37 D87 S115 I116 F165 L166 R208 A209 P233 H234 I235
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.1.1.98
: diphthine synthase.
Gene Ontology
Molecular Function
GO:0004164
diphthine synthase activity
GO:0008168
methyltransferase activity
Biological Process
GO:0017183
protein histidyl modification to diphthamide
GO:0032259
methylation
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:2ed3
,
PDBe:2ed3
,
PDBj:2ed3
PDBsum
2ed3
PubMed
UniProt
O58456
|DPHB_PYRHO Diphthine synthase (Gene Name=dphB)
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