Structure of PDB 8wdq Chain B Binding Site BS01

Receptor Information

>8wdq Chain B (length=273) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSMQPMLNIALRAARSAGELIFRSIERLDVISVNEKDAKDYVTEVDRAAE
QTIVAALRKAYPTHAIMGEEGGLIEGSGEGADYLWVIDPLDGTTNFIHGV
PHFAVSIACKYKGRLEHAVVLDPVRQEEFTASRGRGAALNGRRLRVSGRK
SLEGALLGTGFPFRDNQIDNLDNYLNMFRSLVGQTAGIRRAGAASLDLAY
VAAGRYDAFWEFGLSEWDMAAGALLVQEAGGLVSDFTGSHEFLEKGHIVA
GNTKCFKALLTTIQPHLPPSLKR

Ligand information

Ligand ID

IPD

InChI

InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1

InChIKey

INAPMGSXUVUWAF-UOTPTPDRSA-L

SMILES

Software	SMILES
ACDLabs 12.01	O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.370	O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[P]([O-])([O-])=O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6	[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
OpenEye OEToolkits 1.7.6	C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O
CACTVS 3.370	O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O

Formula

C6 H11 O9 P

Name

D-MYO-INOSITOL-1-PHOSPHATE

ChEMBL

DrugBank

ZINC

PDB chain

8wdq Chain B Residue 302 [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	8wdq Crystal Structure of Pseudomonas aeruginosa SuhB in complex with D-myo-inositol-1-phosphate
Resolution	2.2 Å
Binding residue (original residue number in PDB)	D89 G90 T91 R162 R188 G190 A191 A192 E209
Binding residue (residue number reindexed from 1)	D91 G92 T93 R164 R190 G192 A193 A194 E211
Annotation score	1

External links

PDB	RCSB:8wdq, PDBe:8wdq, PDBj:8wdq
PDBsum	8wdq
PubMed
UniProt	Q9HXI4\|SUHB_PSEAE Nus factor SuhB (Gene Name=suhB)

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