Structure of PDB 7eps Chain D Binding Site BS02

Receptor Information
>7eps Chain D (length=305) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKILIIGANGQIGSELALALAERYGRENVIASDVVPTLPFEVLNATDRGE
LATVVERHGITQVYLLAAALSATGEKAPQWAWNLNMTSLLNVLELARQTG
LEKIFWPSSIAAFGPTTPAGQTPQKTVMEPTTVYGISKQAGEGWCRWYHA
NHGVDVRSIRYPGLISHKTPPGGGTTDYAVDIFHAAVTGEPYTCFLKEDE
ALPMMYMPDAIRATIELMEAPADKLSERGSYNIAGMSFTPAQIAAAIREQ
VPGFQIRYEPDYRQAIAQGWPDSIDDSVARADWGWKAQYGLKEMVADMLA
NLKAT
Ligand information
Ligand IDTHR
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)O
CACTVS 3.341C[CH](O)[CH](N)C(O)=O
CACTVS 3.341C[C@@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N)O
FormulaC4 H9 N O3
NameTHREONINE
ChEMBLCHEMBL291747
DrugBankDB00156
ZINCZINC000000895103
PDB chain7eps Chain D Residue 402 [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]
PDB7eps Partial Consensus Design and Enhancement of Protein Function by Secondary-Structure-Guided Consensus Mutations.
Resolution2.102 Å
Binding residue
(original residue number in PDB)		S81 S119 Y144 G184 T185 T186 W280
Binding residue
(residue number reindexed from 1)		S71 S109 Y134 G174 T175 T176 W270
Annotation score4
External links