Structure of PDB 8uml Chain A Binding Site BS01

Receptor Information

>8uml 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
DASSASYFLAGAAITGGTVTVEGCGTTSLQGDVKFAEVLEMMGAKVTWTE
TSVTVTGPPREPFGRKHLKAIDVNMNKMPDVAMTLAVVALFADGPTAIRD
VASWRVKETERMVAIRTELTKLGASVEEGPDYCIITPPEKLNVTAIDTYD
DHRMAMAFSLAACAEVPVAIRDPGCTRKTFPDYFDVLSTFVKN

Ligand information

Ligand ID

S3P

InChI

InChI=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

InChIKey

QYOJSKGCWNAKGW-PBXRRBTRSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O
CACTVS 3.341	O[C@@H]1CC(=C[C@@H](O[P](O)(O)=O)[C@H]1O)C(O)=O
CACTVS 3.341	O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O)C(O)=O
ACDLabs 10.04	O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O)C1

Formula

C7 H11 O8 P

Name

SHIKIMATE-3-PHOSPHATE

PDB chain

8uml Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8uml Evolving dual-trait EPSP synthase variants using a synthetic yeast selection system.
Resolution	1.83 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 score	5

External links

PDB	RCSB:8uml, PDBe:8uml, PDBj:8uml
PDBsum	8uml
PubMed	39159366
UniProt	A0A1D6NVZ6

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