Structure of PDB 2p8x Chain S Binding Site BS01

Receptor Information

>2p8x Chain S (length=35) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TAAENPNVEVKDYGDIDKAPEERARGITINTAHVE

Ligand information

Ligand ID

GNP

InChI

InChI=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

InChIKey

UQABYHGXWYXDTK-UUOKFMHZSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc2c(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 1.5.0	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=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 3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O

Formula

C10 H17 N6 O13 P3

Name

PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER

PDB chain

2p8x Chain T Residue 843 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2p8x Structures of modified eEF2.80S ribosome complexes reveal the role of GTP hydrolysis in translocation.
Resolution	9.7 Å
Binding residue (original residue number in PDB)	Y47 I61 T62
Binding residue (residue number reindexed from 1)	Y13 I27 T28
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:2p8x, PDBe:2p8x, PDBj:2p8x
PDBsum	2p8x
PubMed	17446867
UniProt	P60339\|EFTU2_THET8 Elongation factor Tu-B (Gene Name=tufB)

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