Structure of PDB 1obh Chain A Binding Site BS04

Receptor Information
>1obh Chain A (length=762) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKYNPHAIEAKWQRFWEEKGFMKAKDLPGGGKQYVLVMFPYPSGDLHMG
HLKNYTMGDVLARFRRMQGYEVLHPMGWDAFGLPAENAALKFGVHPKDWT
YANIRQAKESLRLMGILYDWDREVTTCEPEYYRWNQWIFLKMWEKGLAYR
AKEQWYLRITAYAERLLKDLEGLNWPEKVKAMQRAWIGRSEGAEILFPVE
GKEVRIPVFTTRPDTLFGATFLVLAPEHPLTLELAAPEKREEVLAYVEAA
KRKTEIERQAEGREKTGVFLGAYALNPATGERIPIWTADYVLFGYGTGAI
MAVPAHDQRDYEFARKFGLPIKKVIERPGEPLPEPLERAYEEPGIMVNSG
PFDGTESEEGKRKVIAWLEEKGLGKGRVTYRLRDWLISRQRYWGTPIPMV
HCVVPVPEEELPVLLPDLKDVEDISPLEAHPEFYETTCPKRDTDTMDTFF
DSSWYYLRYTDPHNDRLPFDPEKANAWMPVDQYIGGVEHAVLHLLYSRFF
TKFLHDLGMVKVEEPFQGLFTQGMVLAWTDFGPVEVEGSVVRLPEPTRIR
LEIPESALSLEDVRKMGAELRPHEDGTLHLWKPAVMSKSKGNGVMVGPFV
KEQGADIARITILFAAPPENEMVWTEEGVQGAWRFLNRIYRRVAEDREAL
LETSGVFQAEALEGKDRELYGKLHETLKKVTEDLEALRFNTAIAALMEFL
NALYEYRKDRPVTPVYRTAIRYYLQMLFPFAPHLAEELWHWFWPDSLFEA
GWPELDEKALEK
Ligand information
Ligand IDLMS
InChIInChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyGNZLUJQJDPRUTD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](N)(=O)=O)[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](N)(=O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N
ACDLabs 10.04O=S(=O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N
FormulaC10 H14 N6 O6 S
Name[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE
ChEMBLCHEMBL471144
DrugBankDB02916
ZINC
PDB chain1obh Chain A Residue 1819 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1obh Structural and Mechanistic Basis of Pre- and Posttransfer Editing by Leucyl-tRNA Synthetase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T247 T248 V328 L329 Y332 I337 D344
Binding residue
(residue number reindexed from 1)		T210 T211 V291 L292 Y295 I300 D307
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) F41 H49 H52 D80 F501 H541 F551 V637 K640
Catalytic site (residue number reindexed from 1) F40 H48 H51 D79 F449 H489 F499 V585 K588
Enzyme Commision number 6.1.1.4: leucine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0002161 aminoacyl-tRNA editing activity
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004823 leucine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006429 leucyl-tRNA aminoacylation
GO:0106074 aminoacyl-tRNA metabolism involved in translational fidelity
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:1obh, PDBe:1obh, PDBj:1obh
PDBsum1obh
PubMed12718881
UniProtQ72GM3

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