Structure of PDB 4aq4 Chain A Binding Site BS03

Receptor Information
>4aq4 Chain A (length=418) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMVTTIPFWHSMEGELGKEVDSLAQRFNAENPDYKIVPTYKGNYEQNL
SAGIAAFRTGNAPAILQVYEVGTATMMASKAIKPVYDVFKEAGIQFDESQ
FVPTVSGYYSDSKTGHLLSQPFNSSTPVLYYNKDAFKKAGLDPEQPPKTW
QDLADYAAKLKASGMKCGYASGWQGWIQLENFSAWNGLPFASKNNGFDGT
DAVLEFNKPEQVKHIAMLEEMNKKGDFSYVGRKDESTEKFYNGDCAMTTA
SSGSLANIREYAKFNYGVGMMPYDADAKDAPQNAIIGGASLWVMQGKDKE
TYTGVAKFLDFLAKPENAAEWHQKTGYLPITKAAYDLTREQGFYEKNPGA
DTATRQMLNKPPLPFTKGLRLGNMPQIRVIVDEELESVWTGKKTPQQALD
TAVERGNQLLRRFEKSTK
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain4aq4 Chain A Residue 1417 [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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PDB4aq4 Determinants of Substrate Specificity and Biochemical Properties of the Sn-Glycerol-3-Phosphate ATP Binding Cassette Transporter (Ugpb-Aec(2) ) of Escherichia Coli.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G103 K363
Binding residue
(residue number reindexed from 1)		G107 K367
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0001407 glycerophosphodiester transmembrane transport
GO:0015794 glycerol-3-phosphate transmembrane transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:1902517 glycerol-3-phosphate-transporting ATPase complex

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Biological Process
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Cellular Component
External links
PDB RCSB:4aq4, PDBe:4aq4, PDBj:4aq4
PDBsum4aq4
PubMed23013274
UniProtP0AG80|UGPB_ECOLI sn-glycerol-3-phosphate-binding periplasmic protein UgpB (Gene Name=ugpB)

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