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BioLiP

Structure of PDB 4pcd Chain A Binding Site BS01

Receptor Information
>4pcd Chain A (length=300) Species: 375451 (Roseobacter denitrificans OCh 114) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMQEMTLKLGHLANEQNAWHLAAVKFGEELSTLTDGRIAVEVFPNESLGK
EIDLINGMQLGTVDMTITGESLQNWAPMAALLAVPYAYKSLEHMDEVASG
EIGEQIKQQIIEKAQVRPIAFFARGPRNLTSQRPITSPADLDGMKMRVPN
VPLFVDVWSALGASPTPMAFSEVFTSLQNGVIDGQENPLALIRSANFNEV
QGYVNQTEHVRSWIYLTIAESTWAKLSEDDQNAVMQAAATAQEYERGLLL
ESLAEDRGYLESKGMTFVEVDGAAFQAAAKDAVLANVSEEIRPIVESLFS
Ligand information
Ligand ID2Q2
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m0/s1
InChIKeyRGHNJXZEOKUKBD-RSJOWCBRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O)O
OpenEye OEToolkits 1.7.6C(C(C(C(C(C(=O)O)O)O)O)O)O
CACTVS 3.385OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
ACDLabs 12.01O=C(O)C(O)C(O)C(O)C(O)CO
FormulaC6 H12 O7
NameL-galactonic acid
ChEMBL
DrugBank
ZINCZINC000001532586
PDB chain4pcd 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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PDB4pcd Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E75 G93 E94 S95 R148 R151 R171 N211 L215
Binding residue
(residue number reindexed from 1)		E51 G69 E70 S71 R124 R127 R147 N187 L191
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Biological Process
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Cellular Component
External links
PDB RCSB:4pcd, PDBe:4pcd, PDBj:4pcd
PDBsum4pcd
PubMed25540822
UniProtQ16BC9|DCTP_ROSDO Solute-binding protein RD1_1052 (Gene Name=RD1_1052)

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