Structure of PDB 4ttv Chain A Binding Site BS02

Receptor Information

>4ttv Chain A (length=403) Species: 9606 (Homo sapiens)

SDHRKIGRDQELYFFHELSPGSCFFLPKGAYIYNALIEFIRSEYRKRGFQ
EVVTPNIFNSRLWMTSGHWQHYSENMFSFEVEKELFALKPMNCPGHCLMF
DHRPRSWRELPLRLADFGVLHRNELSGALTGLTRVRRFQQDDAHIFCAME
QIEDEIKGCLDFLRTVYSVFGFSFKLNLSTRPEKFLGDIEVWDQAEKQLE
NSLNEFGEKWELNSGDGAFYGPKIDIQIKDAIGRYHQCATIQLDFQLPIR
FNLTYVSHDGDDKKRPVIVHRAILGSVERMIAILTENYGGKWPFWLSPRQ
VMVVPVGPTCDEYAQKVRQQFHDAKFMADIDLDPGCTLNKKIRNAQLAQY
NFILVVGEKEKISGTVNIRTRDNKVHGERTISETIERLQQLKEFRSKQAE
EEF

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4ttv Chain A Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ttv Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): H464 H590
• Binding residue (residue number reindexed from 1): H144 H270
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C413 R442 Q460 D462 H464 K543 H590
• Catalytic site (residue number reindexed from 1): C93 R122 Q140 D142 H144 K223 H270
• Enzyme Commision number: 6.1.1.3: threonine--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004812 aminoacyl-tRNA ligase activity
• GO:0004829 threonine-tRNA ligase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006418 tRNA aminoacylation for protein translation
• GO:0006435 threonyl-tRNA aminoacylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4ttv, PDBe:4ttv, PDBj:4ttv
• PDBsum: 4ttv
• PubMed: 26271225
• UniProt: P26639|SYTC_HUMAN Threonine--tRNA ligase 1, cytoplasmic (Gene Name=TARS1)