Structure of PDB 8pj3 Chain 0 Binding Site BS03

Receptor Information
>8pj3 Chain 0 (length=621) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTKEERAYDKAKRRIEKRRLEHSKNVNTEKLRAPIICVLGHVDTGKTKIL
DKLRHTHVQDGEAGGITQQIGATNVPLEAINEQTKMIKNFDRENVRIPGM
LIIDTPGHESFSNLRNRGSSLCDIAILVVDIMHGLEPQTIESINLLKSKK
CPFIVALNKIDRLYDWKKSPDSDVAATLKKQKKNTKDEFEERAKAIIVEF
AQQGLNAALFYENKDPRTFVSLVPTSAHTGDGMGSLIYLLVELTQTMLSK
RLAHCEELRAQVMEVKALPGMGTTIDVILINGRLKEGDTIIVPGVEGPIV
TQIRGLLLPPPMKELRVKNQYEKHKEVEAAQGVKILGKDLEKTLAGLPLL
VAYKEDEIPVLKDELIHELKQTLNAIKLEEKGVYVQASTLGSLEALLEFL
KTSEVPYAGINIGPVHKKDVMKASVMLEHDPQYAVILAFDVRIERDAQEM
ADSLGVRIFSAEIIYHLFDAFTKYRQDYKKQKQEEFKHIAVFPCKIKILP
QYIFNSRDPIVMGVTVEAGQVKQGTPMCVPSKNFVDIGIVTSIEINHKQV
DVAKKGQEVCVKIEPIPGESPKMFGRHFEATDILVSKISRQSIDALKDWF
RDEMQKSDWQLIVELKKVFEI
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 chain8pj3 Chain 0 Residue 2001 [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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PDB8pj3 UCSF ChimeraX: Structure visualization for researchers, educators, and developers
Resolution3.7 Å
Binding residue
(original residue number in PDB)		V640 D641 G643 K644 T645 K646 Q657 G663 I664 T665 G705 K757 D759 R760 A825 H826
Binding residue
(residue number reindexed from 1)		V42 D43 G45 K46 T47 K48 Q59 G65 I66 T67 G107 K159 D161 R162 A227 H228
Annotation score4
External links
PDB RCSB:8pj3, PDBe:8pj3, PDBj:8pj3
PDBsum8pj3
PubMed
UniProtO60841|IF2P_HUMAN Eukaryotic translation initiation factor 5B (Gene Name=EIF5B)

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