Structure of PDB 4aui Chain A Binding Site BS02

Receptor Information
>4aui Chain A (length=308) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVTLYGTIKAGVETSRSVAHHGAQADRVKTATEIADLGSKIGFKGQEDLG
NGLKAIWQLEQKAYVSGTDTGWGNRQSFIGLKGGFGKVRVGRLNNILKDT
GNFNPWEGKSYYSGLSNIAQPEERHVSVRYDSPEFAGFSGSVQYVPNDNS
GKNRSESYHAGFNYKNDGFFVQYAGSYKRHNYTTEKHQVHRLVGGYDHDA
LYASVAVQQQDAKLTWRDDNSHNSQTEVATTVAYRFGNVTPRVSYAHGFK
GSVYDADHDNTYDQVVVGAEYDFSKRTSALVSAGWLQKGKGAEKFVATVG
GVGLRHKF
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4aui Chain A Residue 401 [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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PDB4aui Structure and Function of the Porb Porin from Disseminating Neisseria Gonorrhoeae.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		I96 D99 R129 S141 N163
Binding residue
(residue number reindexed from 1)		I96 D99 R129 S141 N163
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0034220 monoatomic ion transmembrane transport
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4aui, PDBe:4aui, PDBj:4aui
PDBsum4aui
PubMed23095086
UniProtQ51056

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