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Receptor Information

>1i6k Chain A (length=326) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQD
PHELRQNIRRLAALYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIG
ELERMTQFKEKSAGKEAVSAGLLTYPPLMAADILLYNTDIVPVGEDQKQH
IELTRDLAERFNKRYGELFTIPEARIPKVGARIMSLVDPTKKMSKSDPNP
KAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISNLLNIYSTLSG
QSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVL
DEGAEKANRVASEMVRKMEQAMGLGR

Ligand ID

TYM

InChI

InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1

InChIKey

IFQVDHDRFCKAAW-SQIXAUHQSA-N

SMILES

Software	SMILES
CACTVS 3.341	N[CH](Cc1c[nH]c2ccccc12)C(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)CC(C(=O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N
ACDLabs 10.04	O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc5c4ccccc4nc5
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N
CACTVS 3.341	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45

Formula

C21 H24 N7 O8 P

Name

TRYPTOPHANYL-5'AMP

PDB chain

1i6k Chain A Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1i6k High-resolution experimental phases for tryptophanyl-tRNA synthetase (TrpRS) complexed with tryptophanyl-5'AMP.
Resolution	1.72 Å
Binding residue (original residue number in PDB)	F5 S6 G7 I8 Q9 G17 N18 G21 A22 V40 H43 Y125 M129 D132 I133 V141 V143 G144 D146 Q147 A181 R182 I183 K192
Binding residue (residue number reindexed from 1)	F5 S6 G7 I8 Q9 G17 N18 G21 A22 V40 H43 Y125 M129 D132 I133 V141 V143 G144 D146 Q147 A181 R182 I183 K192
Annotation score	2

Catalytic site (original residue number in PDB)	K111 K192 K195
Catalytic site (residue number reindexed from 1)	K111 K192 K195
Enzyme Commision number	6.1.1.2: tryptophan--tRNA ligase.

	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

PDB	RCSB:1i6k, PDBe:1i6k, PDBj:1i6k
PDBsum	1i6k
PubMed	11679724
UniProt	P00953\|SYW_GEOSE Tryptophan--tRNA ligase (Gene Name=trpS)

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Structure of PDB 1i6k Chain A Binding Site BS01