Structure of PDB 4pr7 Chain A Binding Site BS01

Receptor Information
>4pr7 Chain A (length=171) Species: 204038 (Dickeya dadantii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSIDYRHEMQDGHKDRLLISHRFANGFGLSSEVKWAQSVSNGTEVVASYV
YKFNSVFSIEPGFSLESGSSNNNYRPYLRGRANVTDDLSVALRYRPYFKR
KGYTLTGNIDYTFLKDYTIGYELEYKKGTSYDITHNVKLSYKWDKNWKPY
VEVGNVSRQTRYRVGVQYSFH
Ligand information
Ligand IDADA
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
InChIKeyAEMOLEFTQBMNLQ-BKBMJHBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.341O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
FormulaC6 H10 O7
Namealpha-D-galactopyranuronic acid;
alpha-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid;
ALPHA D-GALACTURONIC ACID
ChEMBL
DrugBankDB03511
ZINCZINC000004228259
PDB chain4pr7 Chain B Residue 2 [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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PDB4pr7 Structure of the oligogalacturonate-specific KdgM porin.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R20 L22 R96
Binding residue
(residue number reindexed from 1)		R16 L18 R79
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005244 voltage-gated monoatomic ion channel activity
GO:0015288 porin activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0015772 oligosaccharide transport
GO:0034220 monoatomic ion transmembrane transport
GO:0045488 pectin metabolic process
GO:0055085 transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pr7, PDBe:4pr7, PDBj:4pr7
PDBsum4pr7
PubMed24914987
UniProtQ934G3|KDGM_DICD3 Oligogalacturonate-specific porin KdgM (Gene Name=kdgM)

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