Structure of PDB 4mhf Chain A Binding Site BS02

Receptor Information
>4mhf Chain A (length=301) Species: 296591 (Polaromonas sp. JS666) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEFRSADTHNADDYPTVAAVKYMGELLEKKSGGKHKIKVFNKQALGSEKE
TIDQVKIGALDFTRVNVGPMNAICPLTQVPTMPFLFSSIAHMRKSLDGPV
GDEILKSCESAGFIGLAFYDSGARSIYAKKPIRTVADAKGLKIRVQQSDL
WVALVSAMGANATPMPYGEVYTGLKTGLIDAAENNIPSFDTAKHVEAVKV
YSKTEHSMAPEILVMSKIIYDKLPKAEQDMIRAAAKESVAFERQKWDEQE
AKSLANVKAAGAEIVEVDKKSFQAVMGPVYDKFMTTPDMKRLVKAVQDTK
A
Ligand information
Ligand IDGCU
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-WAXACMCWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
CACTVS 3.341O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
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
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
FormulaC6 H10 O7
Namealpha-D-glucopyranuronic acid;
alpha-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBL
DrugBank
ZINCZINC000004213449
PDB chain4mhf Chain A Residue 402 [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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PDB4mhf Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.46 Å
Binding residue
(original residue number in PDB)
H39 E78 R94 R154 R174 Q176 Y197 N214 S218 E241
Binding residue
(residue number reindexed from 1)
H9 E48 R64 R124 R144 Q146 Y167 N184 S188 E211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Biological Process

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Cellular Component
External links
PDB RCSB:4mhf, PDBe:4mhf, PDBj:4mhf
PDBsum4mhf
PubMed25540822
UniProtQ128M1|DCTP1_POLSJ Solute-binding protein Bpro_3107 (Gene Name=Bpro_3107)

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