Structure of PDB 6c9w Chain A Binding Site BS01

Receptor Information
>6c9w Chain A (length=396) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YLKNTNFWMFGLFFFFYFFIMGAYFPFFPIWLHDINHISKSDTWIIFAAI
SLFSLLFQPLFGLLSDKLGLRKYLLWIITGMLVMFAPFFIFIFGPLLQYN
ILVGSIVGGIYLGFCFNAGAPAVEAFIEKVSRRSNFEFGRARMFGCVGWA
LCASIVGIMFTINNQFVFWLGSGCALILAVLLFFAKTDAPSSHSAFSLKL
ALELFRQPKLWFLSLYVIGVSCTYDVFDQQFANFFTSFFATGEQGTRVFW
YVTTMGELLNASIMFFAPLIINRIGGKNALLLAGTIMSVRIIGSSFATSA
LEVVILKTLHMFEVPFLLVGCFKYITSQFEVRFSATIYLVCFCFFKQLAM
IFMSVLAGNMYESIGFQGAYLVLGLVALGFTLISVFTLSGPGPLSL
Ligand information
Ligand ID9PG
InChIInChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
InChIKeyIFBHRQDFSNCLOZ-IIRVCBMXSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(C1OC(C(C(C1O)O)O)Oc2ccc([N+]([O-])=O)cc2)O
OpenEye OEToolkits 1.9.2c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
OpenEye OEToolkits 1.9.2c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.385OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
FormulaC12 H15 N O8
Name4-nitrophenyl alpha-D-galactopyranoside;
4-nitrophenyl alpha-D-galactoside;
4-nitrophenyl D-galactoside;
4-nitrophenyl galactoside
ChEMBLCHEMBL471489
DrugBank
ZINCZINC000004282287
PDB chain6c9w Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6c9w Crystal Structure of a ligand-bound LacY-Nanobody Complex.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		M23 R144 W151 E269 H322
Binding residue
(residue number reindexed from 1)		M21 R142 W149 E257 H310
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005351 carbohydrate:proton symporter activity
GO:0005515 protein binding
GO:0015293 symporter activity
GO:0015528 lactose:proton symporter activity
GO:0022857 transmembrane transporter activity
GO:0030395 lactose binding
Biological Process
GO:0008643 carbohydrate transport
GO:0015767 lactose transport
GO:0034219 carbohydrate transmembrane transport
GO:0055085 transmembrane transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:6c9w, PDBe:6c9w, PDBj:6c9w
PDBsum6c9w
PubMed30108145
UniProtP02920|LACY_ECOLI Lactose permease (Gene Name=lacY)

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