Structure of PDB 1wdn Chain A Binding Site BS01

Receptor Information
>1wdn Chain A (length=223) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLVVATDTAFVPFEFKQGDLYVGFDVDLWAAIAKELKLDYELKPMDFSGI
IPALQTKNVDLALAGITITDERKKAIDFSDGYYKSGLLVMVKANNNDVKS
VKDLDGKVVAVKSGTGSVDYAKANIKTKDLRQFPNIDNAYMELGTNRADA
VLHDTPNILYFIKTAGNGQFKAVGDSLEAQQYGIAFPKGSDELRDKVNGA
LKTLRENGTYNEIYKKWFGTEPK
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain1wdn Chain A Residue 227 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wdn The structure of glutamine-binding protein complexed with glutamine at 1.94 A resolution: comparisons with other amino acid binding proteins.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		F13 F50 G68 T70 R75 K115 T118 H156 D157
Binding residue
(residue number reindexed from 1)		F10 F47 G65 T67 R72 K112 T115 H153 D154
Annotation score4
Binding affinityMOAD: Kd=0.5uM
PDBbind-CN: -logKd/Ki=6.30,Kd=0.5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
GO:0070406 glutamine binding
Biological Process
GO:0006865 amino acid transport
GO:0006868 glutamine transport
GO:0034220 monoatomic ion transmembrane transport
GO:1903803 L-glutamine import across plasma membrane
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1wdn, PDBe:1wdn, PDBj:1wdn
PDBsum1wdn
PubMed9571045
UniProtP0AEQ3|GLNH_ECOLI Glutamine-binding periplasmic protein (Gene Name=glnH)

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