Structure of PDB 3i4x Chain A Binding Site BS02
Receptor Information
>3i4x Chain A (length=428) [
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MKAANASSAEAYRVLSRAFRFDNEDQKLWWHSTAPMFAKMLETANYTTPC
QYQYLITYKECVIPSLGCYPTNSAPRWLSILTRYGTPFELSLNCSNSIVR
YTFEPINQHTGTDKDPFNTHAIWESLQHLLPLEKSIDLEWFRHFKHDLTL
NSEESAFLAHNDRLVGGTIRTQNKLALDLKDGRFALKTYIYPALKAVVTG
KTIHELVFGSVRRLAVREPRILPPLNMLEEYIRSRGSKSTASPRLVSCDL
TSPAKSRIKIYLLEQMVSLEAMEDLWTLGGRRRDASTLEGLSLVRELWDL
IQLSPGLKSYPAPYLPLGVIPDERLPLMANFTLHQNDPVPEPQVYFTTFG
MNDMAVADALTTFFERRGWSEMARTYETTLKSYYPHADHDKLNYLHAYIS
FSYRDRTPYLSVYLQSFETGDWAVAGVY
Ligand information
Ligand ID
TRP
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKey
QIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0
c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341
N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Formula
C11 H12 N2 O2
Name
TRYPTOPHAN
ChEMBL
CHEMBL54976
DrugBank
DB00150
ZINC
ZINC000000083315
PDB chain
3i4x Chain A Residue 461 [
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Receptor-Ligand Complex Structure
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PDB
3i4x
The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
I80 L81 E89 T102 K174 Y189 Y191 R244 Y398
Binding residue
(residue number reindexed from 1)
I80 L81 E89 T102 K174 Y189 Y191 R244 Y398
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.5.1.34
: 4-dimethylallyltryptophan synthase.
Gene Ontology
Molecular Function
GO:0004659
prenyltransferase activity
GO:0016765
transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0050364
tryptophan dimethylallyltransferase activity
Biological Process
GO:0009820
alkaloid metabolic process
GO:0035835
indole alkaloid biosynthetic process
GO:0035837
ergot alkaloid biosynthetic process
GO:1900809
fumigaclavine C biosynthetic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:3i4x
,
PDBe:3i4x
,
PDBj:3i4x
PDBsum
3i4x
PubMed
19706516
UniProt
Q50EL0
|DMAW_ASPFU Tryptophan dimethylallyltransferase (Gene Name=dmaW)
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