Structure of PDB 5xgd Chain A Binding Site BS01

Receptor Information
>5xgd Chain A (length=548) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAERERAQITLASIGDGVITADTQGGISYLNPAAEQMTNWTLDKARGLPL
ASLFRIVDESEQILSGEIDGGREHSKLVLRHDGSSVPVTLVGAPIHRGAE
ITGVVLVLHDMTRERQYMARLSWQATHDALTGLTNRREFEYRLQIALERL
ERNSGRHALMFLDLDQFKLVNDTCGHAAGDELLRQVCTLLQQGLREGDTL
ARLGGDEFGILLENCPAEKAVEIADHLRKTIQDLHFTWSGQPFNCTVSVG
LVHLLPGISTLEEALRSADMACYMAKEKGRNRVQVFHQDDVELSMRFGEM
TWVQRIHLALEEDRFSLYAQPIVPLGEGAEEGLHVELLLRLRDEGGRLVP
PLSFIPAAERYGLMTLIDRWVVENAFRTLVERAQDPRAEPIGTCAINLSG
ATIGDESFLQFLTELFARYRIPPQTICFEVTETVAVANLASAIRFINELK
DTGCRFSLDDFCAGMSSFIYLKHLPVDYLKIDGSFVKDMLEDPIDRAMVQ
VINHIGHVMGKRTIAEFVETVEVMEALREIGIDYAQGLAIGAPLPFSR
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 chain5xgd Chain A Residue 901 [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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PDB5xgd Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L413 Q415 F416 K417 N420 H425 D429 R451 G454 D455 K525 R529 L601
Binding residue
(residue number reindexed from 1)		L164 Q166 F167 K168 N171 H176 D180 R202 G205 D206 K276 R280 L352
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:5xgd, PDBe:5xgd, PDBj:5xgd
PDBsum5xgd
PubMed29109186
UniProtQ9I580

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