Structure of PDB 6otj Chain A Binding Site BS01

Receptor Information
>6otj Chain A (length=427) Species: 521006 (Neisseria gonorrhoeae NCCP11945) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSVIQDLQSRGLIAQTTDIEALDALLNEQKIALYCGFDPTADSLHIGHLL
PVLALRRFQQAGHTPIALVGGATGMIGDPSFKAAERSLNSAETVAGWVGS
IRSQLTPFLSFEGGNAAIMANNADWFGSMNCLDFLRDIGKHFSVNAMLNK
ESVKQRIDRDGAGISFTEFAYSLLQGYDFAELNKRHGAVLEIGGSDQWGN
ITAGIDLTRRLNQKQVFGLTLPLVTKSDGTKFGKTEGGAVWLNAKKTSPY
QFYQFWLKVADADVYKFLKYFTFLSIEEIGVVEAKDKASGSKPEAQRILA
EEMTRLIHGEEALAAAQRISESLFAEDQSRLTESDFEQLALDGLPAFEVS
DGINAVEALVKTGLAASNKEARGFVNAKAVLLNGKPAEANNPNHPDDAYL
LIGEYKRFGKYTILRRGKRNHALLVWK
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain6otj Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6otj Crystal Structure of Tyrosyl-tRNA synthetase from Neisseria gonorrhoeae with bound L-Tyr
Resolution2.85 Å
Binding residue
(original residue number in PDB)		Y34 G36 D38 L68 D78 Y171 Q175 D178 Q197
Binding residue
(residue number reindexed from 1)		Y34 G36 D38 L68 D78 Y171 Q175 D178 Q197
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T40 H45 H48 K82 R86 Q175 D196 K231 K234 T235
Catalytic site (residue number reindexed from 1) T40 H45 H48 K82 R86 Q175 D196 K231 K234 T235
Enzyme Commision number 6.1.1.1: tyrosine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004831 tyrosine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006437 tyrosyl-tRNA aminoacylation
GO:0043039 tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
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:6otj, PDBe:6otj, PDBj:6otj
PDBsum6otj
PubMed
UniProtB4RP13|SYY_NEIG2 Tyrosine--tRNA ligase (Gene Name=tyrS)

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