Structure of PDB 6e8i Chain A Binding Site BS01

Receptor Information
>6e8i Chain A (length=157) Species: 661367 (Legionella longbeachae NSW150) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKIPIIFGLINSYQIHNLLEQHNAKTKESKAVFLIRDSSTYPGLLTISYY
CQEQDIVKHIRFGLTDKGWKTAPKPPHEPLKSDSPEIKEKYTLDKIKFER
KMKQFINTAKKLFEQHIRAESFKTLIMELKIHEFNLEGLIKPTRSQASQE
KHFTDYV
Ligand information
Ligand IDPTR
InChIInChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKeyDCWXELXMIBXGTH-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
CACTVS 3.341N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
ACDLabs 10.04O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
FormulaC9 H12 N O6 P
NameO-PHOSPHOTYROSINE;
PHOSPHONOTYROSINE
ChEMBLCHEMBL286939
DrugBankDB01962
ZINCZINC000001530464
PDB chain6e8i Chain A Residue 201 [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]
PDB6e8i Identification and characterization of a large family of superbinding bacterial SH2 domains.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		R46 S48 S49 T50 T56 H69 R71 K84
Binding residue
(residue number reindexed from 1)		R36 S38 S39 T40 T46 H59 R61 K74
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links