Structure of PDB 3td9 Chain A Binding Site BS01

Receptor Information
>3td9 Chain A (length=350) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVKIAVILPMTGGISAFGRMVWEGIQIAHEEKPTVLGEEVELVLLDTRSE
KTEAANAAARAIDKEKVLAIIGEVASAHSLAIAPIAEENKVPMVTPASTN
PLVTQGRKFVSRVCFIDPFQGAAMAVFAYKNLGAKRVVVFTDVEQDYSVG
LSNFFINKFTELGGQVKRVFFRSGDQDFSAQLSVAMSFNPDAIYITGYYP
EIALISRQARQLGFTGYILAGDGADAPELIEIGGEAVEGLLFTTHYHPKA
ASNPVAKKFVEVYKEKYGKEPAALNALGYDAYMVLLDAIERAGSFDREKI
AEEIRKTRNFNGASGIINIDENGDAIKSVVVNIVKNGSVDFEAVINPDDL
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain3td9 Chain A Residue 400 [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]
PDB3td9 Crystal structure of a Leucine binding protein LivK (TM1135) from Thermotoga maritima MSB8 at 1.90 A resolution
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F36 V93 A94 S95 A116 S117 T118 Y166 Y217 D241 H264 L293
Binding residue
(residue number reindexed from 1)		F17 V74 A75 S76 A97 S98 T99 Y147 Y198 D222 H245 L274
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links