Structure of PDB 1g7t Chain A Binding Site BS01

Receptor Information
>1g7t Chain A (length=569) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIRSPIVSVLGHVDHGKTTLLDHIRGSAVASRITQHIGATEIPMDVIEG
ICGDFLKKFSIRETLPGLFFIDTPGHEAFTTLRKRGGALADLAILIVDIN
EGFKPQTQEALNILRMYRTPFVVAANKIDRIHGWRVHEGRPFMETFSKQD
IQVQQKLDTKVYELVGKLHEEGFESERFDRVTDFASQVSIIPISAITGEG
IPELLTMLMGLAQQYLREQLKIEEDSPARGTILEVKEETGLGMTIDAVIY
DGILRKDDTIAMMTSKDVISTRIRSLLKPRPSRKKFQKVDEVVAAAGIKI
VAPGIDDVMAGSPLRVVTDPEKVREEILSEIEDIKIDTDEAGVVVKADTL
GSLEAVVKILRDMYVPIKVADIGDVSRRDVVNAGIALQEDRVYGAIIAFN
VKVIPSAAQELKNSDIKLFQGNVIYRLMEEYEEWVRGIEEEKKKKWMEAI
IKPASIRLIPKLVFRQSKPAIGGVEVLTGVIRQGYPLMNDDGETVGTVES
MQDKGENLKSASRGQKVAMAIKDAVYGKTIHEGDTLYVDIPENHYHILLT
DEELDLMDKIAEIKRKKNP
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain1g7t Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1g7t X-Ray structures of the universal translation initiation factor IF2/eIF5B: conformational changes on GDP and GTP binding.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D15 G17 K18 T19 T20 E81 N130 K131 D133 R134 S198 A199 I200
Binding residue
(residue number reindexed from 1)		D15 G17 K18 T19 T20 E77 N126 K127 D129 R130 S194 A195 I196
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D15
Catalytic site (residue number reindexed from 1) D15
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003743 translation initiation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0006412 translation
GO:0006413 translational initiation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1g7t, PDBe:1g7t, PDBj:1g7t
PDBsum1g7t
PubMed11114334
UniProtO26359|IF2P_METTH Probable translation initiation factor IF-2 (Gene Name=infB)

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