Structure of PDB 3vns Chain A Binding Site BS02

Receptor Information
>3vns Chain A (length=497) Species: 1931 (Streptomyces sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSDPIARNSDLVSLFREVAATAPERTALSAEDDRISYGRLDAWSDAVART
LLAEGVRPGDRVALRMSPGAEAIVAILAILKCGAAYVPVDLRNPVSRSDF
ILADSGASALIGEPHEGCAVTRVVRTAAVAECKDAEPAPGPGAEDMAYVI
YTSGTGNPKGVPVRHANVLALLAGAPSVFDFSGDDRWLLFHSLSFDFSVW
EIWGAFSTGAELVVLPHWAARTPEQYLAVIIDRGVTVINQTPTAFLALTE
AAVRGGRDVSGLRYVIFGGEKLTAPMLRPWAKAFGLDRPRLVNGYGITET
TVFTTFEEITEAYLAQDASIIGRALPSFGTRVVGDDGRDVAPGETGELWL
SGAQLAEGYLRRPELTAEKFPEVVRYYRTGDLVSELPDGRFAYEGRADLQ
IKLRGYRIELSDIETAVRRHDDVVDAVVTVREFKPGDLRLVCAYVAREGS
ATTARELRNHIKTLLPAYMHPARYLPLPGLPRTVNGKVDRAAVARSW
Ligand information
Ligand IDDVA
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
InChIKeyKZSNJWFQEVHDMF-SCSAIBSYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
CACTVS 3.341CC(C)[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)[C@H](C(=O)O)N
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameD-VALINE
ChEMBLCHEMBL1232398
DrugBank
ZINCZINC000000896156
PDB chain3vns 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3vns Substrate recognition mechanism of NRPS adenylation protein from Streptomyces
Resolution2.001 Å
Binding residue
(original residue number in PDB)		F207 D208 F209 G308 V314 F315 K507
Binding residue
(residue number reindexed from 1)		F195 D196 F197 G296 V302 F303 K487
Annotation score1
External links