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Structure of PDB 1rf6 Chain C Binding Site BS01

Receptor Information >1rf6 Chain C (length=427) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MKLKTNIRHLHGIIRVPGDKSISHRSIIFGSLAEGETKVYDILRGEDVLS TMQVFRDLGVEIEDKDGVITVQGVGMAGLKAPQNALNMGNSGTSIRLISG VLAGADFEVEMFGDDSLSKRPMDRVTLPLKKMGVSISGQTERDLPPLRLK GTKNLRPIHYELPIASAQVKSALMFAALQAKGESVIIEKEYTRNHTEDML QQFGGHLSVDGKKITVQGPQKLTGQKVVVPGDISSAAFWLVAGLIAPNSR LVLQNVGINETRTGIIDVIRAMGGKLEITEIDPVAKSATLIVESSDLKGT EICGALIPRLIDELPIIALLATQAQGVTVIKDAEELKVKETDRIQVVADA LNSMGADITPTADGMIIKGKSALHGARVNTFGDHRIGMMTAIAALLVADG EVELDRAEAINTSYPSFFDDLESLIHG

Ligand information Ligand ID GPJ InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1 InChIKey XDDAORKBJWWYJS-UHFFFAOYSA-O SMILES Software SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)[NH2+]CP(=O)(O)O CACTVS 3.341 OC(=O)C[NH2+]C[P](O)(O)=O ACDLabs 10.04 O=C(O)C[NH2+]CP(=O)(O)O Formula C3 H9 N O5 P Name GLYPHOSATE ChEMBL DrugBank DB04539 ZINC PDB chain 1rf6 Chain C Residue 1628 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 1rf6 Structural studies of Streptococcus pneumoniae EPSP synthase in unliganded state, tetrahedral intermediate-bound state and S3P-GLP-bound state. Resolution 1.9 Å Binding residue (original residue number in PDB) K20 G92 T93 R120 Q168 D312 E340 R343 H384 R385 Binding residue (residue number reindexed from 1) K20 G92 T93 R120 Q168 D312 E340 R343 H384 R385 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) K20 S21 D47 N90 D115 R120 D312 E340 H384 R385 T412 Catalytic site (residue number reindexed from 1) K20 S21 D47 N90 D115 R120 D312 E340 H384 R385 T412 Enzyme Commision number 2.5.1.19: 3-phosphoshikimate 1-carboxyvinyltransferase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0003866 3-phosphoshikimate 1-carboxyvinyltransferase activity GO:0005515 protein binding GO:0016740 transferase activity GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

	Biological Process
GO:0008652	amino acid biosynthetic process
GO:0009073	aromatic amino acid family biosynthetic process
GO:0009423	chorismate biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

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