Structure of PDB 1nj2 Chain A Binding Site BS01

Receptor Information
>1nj2 Chain A (length=452) Species: 187420 (Methanothermobacter thermautotrophicus str. Delta H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFSEWFHNILEEAEIIDQRYPVKGMHVWMPHGFMIRKNTLKILRRILDRD
HEEVLFPLLVPEDELAEVYWVTHGGLSKLQRKLALRPTSETVMYPMFALW
VRSHTDLPMRFYQVVNTFRYETKHTRPLIRVREITTFKEAHTIHATASEA
EEQVERAVEIYKEFFNSLGIPYLITRRPPWDKFPGSEYTVAFDTLMPDGK
TLQIGTVHNLGQTFARTFEIKFETPEGDHEYVHQTCYGLSDRVIASVIAI
HGDESGLCLPPDVAAHQVVIVPIIFKKAAEEVMEACRELRSRLEAAGFRV
HLDDRDIRAGRKYYEWEMRGVPLRVEIGPRDLEKGAAVISRRDTGEKVTA
DLQGIEETLRELMKDILENLRTRAWERMESEIREAETLEEASRIVDEKRG
IISFMWCGEEECGMDVEEKVRVDILGIQEEGSGTCINCGREAPYRAYLAR
TY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1nj2 Chain A Residue 495 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nj2 The structural basis of cysteine aminoacylation of tRNAPro by prolyl-tRNA synthetases
Resolution3.11 Å
Binding residue
(original residue number in PDB)		C436 C441 C464 C467
Binding residue
(residue number reindexed from 1)		C407 C412 C435 C438
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E119 R148 H170
Catalytic site (residue number reindexed from 1) E90 R119 H141
Enzyme Commision number 6.1.1.15: proline--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004827 proline-tRNA ligase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006433 prolyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0017101 aminoacyl-tRNA synthetase multienzyme complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1nj2, PDBe:1nj2, PDBj:1nj2
PDBsum1nj2
PubMed12578991
UniProtO26708|SYP_METTH Proline--tRNA ligase (Gene Name=proS)

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