Structure of PDB 4b48 Chain A Binding Site BS01

Receptor Information
>4b48 Chain A (length=348) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKVRIYQLAKELGMETQELLELLDQMGVAYKSHASTLEEKDAEAVRELV
KEQRGLQEKLAEEERRKSLPRRPPVVVIMGHVDHGKTTLLDYLRKSRIAE
KEAGGITQHVGAFEVKTPQGTVVFIDTPGHEARGAKVADIAVIVIAADDG
IMPQTEEAIAHAKAAGAKLIFAINKIDLPQADPEKVKRQLMERGFVPEEY
GGDAIVIPISAKTGQGVQDLLEMILLLAELEDYRADPNAEPRGVILESKL
DKQAGIIANMLVQEGTFRVGDYVVAGEAYGRIRAMMDADGNQRKEAGPGS
AVQVLGFQELPHAGDVVEWVPDLEAAKEIAEERKEERKAREEEEKARR
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain4b48 Chain A Residue 1355 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b48 Structure of the Protein Core of Translation Initiation Factor 2 in Apo, GTP-Bound and Gdp-Bound Forms
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H81 V82 D83 G85 K86 T87 T88 N180 K181 D183 L184 S216 A217 K218
Binding residue
(residue number reindexed from 1)		H81 V82 D83 G85 K86 T87 T88 N174 K175 D177 L178 S210 A211 K212
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D83 K86 T87 T107 H130
Catalytic site (residue number reindexed from 1) D83 K86 T87 T107 H130
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003743 translation initiation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006413 translational initiation

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Molecular Function
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Biological Process
External links
PDB RCSB:4b48, PDBe:4b48, PDBj:4b48
PDBsum4b48
PubMed23695237
UniProtP48515|IF2_THET8 Translation initiation factor IF-2 (Gene Name=infB)

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