Structure of PDB 7eps Chain C Binding Site BS02

Receptor Information
>7eps Chain C (length=310) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKILIIGANGQIGSELALALAERYGRENVIASDVVPTGRHVHLPFEVLNA
TDRGELATVVERHGITQVYLLAAALSATGEKAPQWAWNLNMTSLLNVLEL
ARQTGLEKIFWPSSIAAFGPTTPAGQTPQKTVMEPTTVYGISKQAGEGWC
RWYHANHGVDVRSIRYPGLISHKTPPGGGTTDYAVDIFHAAVTGEPYTCF
LKEDEALPMMYMPDAIRATIELMEAPADKLSERGSYNIAGMSFTPAQIAA
AIREQVPGFQIRYEPDYRQAIAQGWPDSIDDSVARADWGWKAQYGLKEMV
ADMLANLKAT
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 C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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
Binding residue
(residue number reindexed from 1)		S76 S114 Y139 G179 T180 T181
Annotation score4
External links