Structure of PDB 4nap Chain D Binding Site BS01

Receptor Information
>4nap Chain D (length=310) Species: 207559 (Oleidesulfovibrio alaskensis G20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVTLNYANFPPASTFPCIQMEQWAHEVRTRTRGKVDVLTYPGGTLLGARN
MLRGVMSGQADIGCISLAYHPGVFPVMSVFELPLGFTSAEAASSVLWELY
SGLRPAELERVKVLTMFTSAPSHFMTVTPVRSLRDLQGMEIRGAGTLSAI
LEKLGATPVSMPMPEVPEAVQKGIIKGLFTSLDVMKDMNFAEMTGHVTRA
DQAVYPFAVIMNREAWERLSPDVQQVLDGLAAEHAAWTGRYLDAHVQDSM
RWAEEKHGVQVHTLPEEDIAAMRRSVQPLFDAWAQRAADKGADPDAVMRT
VDALKAQYGG
Ligand information
Ligand IDDTR
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
InChIKeyQIVBCDIJIAJPQS-SECBINFHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N
FormulaC11 H12 N2 O2
NameD-TRYPTOPHAN
ChEMBLCHEMBL292303
DrugBankDB03225
ZINCZINC000000083317
PDB chain4nap Chain D 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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PDB4nap Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T45 F46 P47 S97 Y100 R173 M194 T211 Y236 F238
Binding residue
(residue number reindexed from 1)		T14 F15 P16 S66 Y69 R142 M163 T180 Y205 F207
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0042597 periplasmic space

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Biological Process
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Cellular Component
External links
PDB RCSB:4nap, PDBe:4nap, PDBj:4nap
PDBsum4nap
PubMed25540822
UniProtQ315G1|DCTP2_OLEA2 Solute-binding protein Dde_0634 (Gene Name=Dde_0634)

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