Structure of PDB 8umn Chain A Binding Site BS01

Receptor Information
>8umn Chain A (length=443) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAEEIVLQPIKEISGTVKLPGSKSLSNRILLLAALSEGTTVVDNLLNSED
VHYMLGALRTLGLSVEADKAAKRAVVVGCGGKFPVEDSKEEVQLFLGNAG
IAMRSLTAAVTAAGGNATYVLDGVSRMRERPIGDLVVGLKQLGADVDCFL
GTDCPPVRVNGIGGLPGGKVKLSGSISSQYLSALLMAAPLALGDVEIEII
DKLISIPYVEMTLRLMERFGVKAEHSDSWDRFYIKGGQKYKSPKNAYVEG
DASSASYFLAGAAITGGTVTVEGCGTTSLQGDVKFAEVLEMMGARVTWTE
TSVTVTGPPREPFGRKHLKAIDVNMNKMPDVAMTLAVVALFADGPTAIRD
VASWRVKETERMVAIRTELTKLGASVEEGPDYCIITPPEKLNVTAIDTYD
DHRMAMAFSLAACAEVPVAIRDPGCTRKTFPDYFDVLSTFVKN
Ligand information
Ligand IDS3P
InChIInChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1
InChIKeyQYOJSKGCWNAKGW-PBXRRBTRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O
CACTVS 3.341O[C@@H]1CC(=C[C@@H](O[P](O)(O)=O)[C@H]1O)C(O)=O
CACTVS 3.341O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O)C(O)=O
ACDLabs 10.04O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O)C1
FormulaC7 H11 O8 P
NameSHIKIMATE-3-PHOSPHATE
ChEMBLCHEMBL95193
DrugBankDB04328
ZINCZINC000003870237
PDB chain8umn Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8umn Evolving dual-trait EPSP synthase variants using a synthetic yeast selection system.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S25 R29 S178 S179 Q180 S206 Y209 D331 K358
Binding residue
(residue number reindexed from 1)		S24 R28 S177 S178 Q179 S205 Y208 D330 K357
Annotation score5
External links