Structure of PDB 4ujd Chain BB Binding Site BS04

Receptor Information
>4ujd Chain BB (length=611) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSDDDRTKEERAYDKAKRRIEKRRLEHSKNVNTEKLRAPVICVLGHVDTG
KTKILDKLRHTHVQDQQIGATNVPLEAINEQTKMIKNFDRENVRIPGMLI
IDTPGHESFSNLRNRGSSLCDIAILVVDIMHGLEPQTIESINLLKSKKCP
FIVALNKIDRLYDWKKSPDSDVAATLKKQKKNTKDEFEERAKAIIVEFAQ
QGLNAALFYENKDPRTFVSLVPTSAHTGDGMGSLIYLLVELTQTMLSKRL
AHCEELRAQVMEVKALPGMGTTIDVILINGRLKEGDTIIVPGVEGPIVTQ
IRGLLLPPPQYEKHKEVEAAQGVKILGKDLEKTLAGLPLLVAYKEDEIPV
LKDELIHELKQTLNAIKLEEKGVYVQASTLGSLEALLEFLKTSEVPYAGI
NIGPVHKKDVMKASVMLEHDPQYAVILAFDVRIERDAQEMADSLGVRIFS
AEIIYHLFDAFTKYRQDYKKQKQEEFKHIAVFPCKMKILPQYIFNSRDPI
VMGVTVEAGQVKQGTPMCVPSKNFVDIGIVTSIEVNHKQVDVAKKGQEVC
VKIEPIPGESPKMFGRHFEATDILVSKISRQSIDALKDWFRDEMQKSDWQ
LIVELKKVFEI
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 chain4ujd Chain BB Residue 2435 [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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PDB4ujd Structure of the Mammalian 80S Initiation Complex with Eif5B on Hcv Ires
Resolution8.9 Å
Binding residue
(original residue number in PDB)		D855 G857 K858 T859 K860 E921 N970 K971 D973 R974 S1038 A1039 H1040
Binding residue
(residue number reindexed from 1)		D48 G50 K51 T52 K53 E107 N156 K157 D159 R160 S224 A225 H226
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:4ujd, PDBe:4ujd, PDBj:4ujd
PDBsum4ujd
PubMed25064512
UniProtG1TRL5

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