Structure of PDB 3vnr Chain A Binding Site BS02

Receptor Information
>3vnr Chain A (length=493) Species: 1931 (Streptomyces sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSDPIARNSDLVSLFREVAATAPERTALSAEDDRISYGRLDAWSDAVART
LLAEGVRPGDRVALRMSPGAEAIVAILAILKCGAAYVPVDLRNPVSRSDF
ILADSGASALIGEPHEGCAVTRVVRTAAVAECKDAEPPGPGAEDMAYVIY
TSPKGVPVRHANVLALLAGAPSVFDFSGDDRWLLFHSLSFDFSVWEIWGA
FSTGAELVVLPHWAARTPEQYLAVIIDRGVTVINQTPTAFLALTEAAVRG
GRDVSGLRYVIFGGEKLTAPMLRPWAKAFGLDRPRLVNGYGITETTVFTT
FEEITEAYLAQDASIIGRALPSFGTRVVGDDGRDVAPGETGELWLSGAQL
AEGYLRRPELTAEKFPEVSVRYYRTGDLVSELPDGRFAYEGRADLQIKLR
GYRIELSDIETAVRRHDDVVDAVVTVREFKPGDLRLVCAYVAREGSATTA
RELRNHIKTLLPAYMHPARYLPLPGLPRTVNGKVDRAAVARSW
Ligand information
Ligand IDABA
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyQWCKQJZIFLGMSD-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC(C(=O)O)N
OpenEye OEToolkits 1.7.6CC[C@@H](C(=O)O)N
CACTVS 3.385CC[C@H](N)C(O)=O
CACTVS 3.385CC[CH](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CC
FormulaC4 H9 N O2
NameALPHA-AMINOBUTYRIC ACID
ChEMBLCHEMBL1230782
DrugBank
ZINCZINC000000901351
PDB chain3vnr Chain A Residue 602 [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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PDB3vnr Substrate recognition mechanism of NRPS adenylation protein from Streptomyces
Resolution1.75 Å
Binding residue
(original residue number in PDB)		F209 G280 G281 F315
Binding residue
(residue number reindexed from 1)		F192 G263 G264 F298
Annotation score3
External links