Structure of PDB 3fi0 Chain R Binding Site BS01
Receptor Information
>3fi0 Chain R (length=290) Species:
1422
(Geobacillus stearothermophilus) [
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MKTIFSGIQTIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQDPHELR
QNIRRLAALYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIGELERM
TQVSAGLLTYPPLMAADILLYNTDIVPVGEDQKQHIELTRDLAERFNKRY
GELFTIPEARIPRIMSLVDPTKKMSKSDPNPKAYITLLDDAKTIEKKIKS
SEGTIGISNLLNIYSTLSGQSIEELERQYGVFKADLAQVVIETLRPIQER
YHHWMESEELDRVLDEGAEKANRVASEMVRKMEQAMGLGR
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
3fi0 Chain R Residue 1001 [
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Receptor-Ligand Complex Structure
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PDB
3fi0
Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations.
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
F5 G7 H43 M129 D132 I133 V141 Q147
Binding residue
(residue number reindexed from 1)
F5 G7 H38 M114 D117 I118 V126 Q132
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
K192 K195
Catalytic site (residue number reindexed from 1)
K173 K176
Enzyme Commision number
6.1.1.2
: tryptophan--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0004812
aminoacyl-tRNA ligase activity
GO:0004830
tryptophan-tRNA ligase activity
GO:0005524
ATP binding
Biological Process
GO:0006412
translation
GO:0006418
tRNA aminoacylation for protein translation
GO:0006436
tryptophanyl-tRNA aminoacylation
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:3fi0
,
PDBe:3fi0
,
PDBj:3fi0
PDBsum
3fi0
PubMed
19174517
UniProt
P00953
|SYW_GEOSE Tryptophan--tRNA ligase (Gene Name=trpS)
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