Structure of PDB 1wf3 Chain A Binding Site BS02

Receptor Information
>1wf3 Chain A (length=296) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKTYSGFVAIVGKPNVGKSTLLNNLLGVKVAPISPRPQTTRKRLRGILTE
GRRQIVFVDTPGLHKPMDALGEFMDQEVYEALADVNAVVWVVDLRHPPTP
EDELVARALKPLVGKVPILLVGNKLDAAKYPEEAMKAYHELLPEAEPRML
SALDERQVAELKADLLALMPEGPFFYPEDYAKSDQTFGEWVAEILREEAM
KRLWHEVPYAVATKVEEVAERENGVLYIKAILYVERPSQKAIVIGEGGRK
IKEIGQATRKQLEALLGKKVYLDLEVKVYPDWRKDPEALRELGYRS
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 chain1wf3 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wf3 Crystal structure of GTP-binding protein TT1341 from Thermus thermophilus HB8
Resolution1.88 Å
Binding residue
(original residue number in PDB)		N17 V18 G19 K20 S21 T22 I35 S36 P37 Q40 T42 G64 N125 K126 D128 S153
Binding residue
(residue number reindexed from 1)		N15 V16 G17 K18 S19 T20 I33 S34 P35 Q38 T40 G62 N123 K124 D126 S151
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0019843 rRNA binding
GO:0043024 ribosomal small subunit binding
GO:0070181 small ribosomal subunit rRNA binding
Biological Process
GO:0000028 ribosomal small subunit assembly
GO:0042254 ribosome biogenesis
GO:0042274 ribosomal small subunit biogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wf3, PDBe:1wf3, PDBj:1wf3
PDBsum1wf3
PubMed
UniProtQ5SM23|ERA_THET8 GTPase Era (Gene Name=era)

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