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Structure of PDB 2x6t Chain G Binding Site BS03

Receptor Information >2x6t Chain G (length=308) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MIIVTGGAGFIGSNIVKALNDKGITDILVVDNLKDGTKFVNLVDLNIADY MDKEDFLIQIMAGEEFGDVEAIFHEGACSSTTEWDGKYMMDNNYQYSKEL LHYCLEREIPFLYASSAATYGGRTSDFIESREYEKPLNVFGYSKFLFDEY VRQILPEANSQIVGFRYFNVYGPREGHKGSMASVAFHLNTQLNNGESPKL FEGSENFKRDFVYVGDVADVNLWFLENGVSGIFNLGTGRAESFQAVADAT LAYHKKGQIEYIPFPDKLKGRYQAFTQADLTNLRAAGYDKPFKTVAEGVT EYMAWLNR

Ligand information Ligand ID BMA InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1 InChIKey WQZGKKKJIJFFOK-RWOPYEJCSA-N SMILES Software SMILES CACTVS 3.341 OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)O)O)O)O)O CACTVS 3.341 OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O ACDLabs 10.04 OC1C(O)C(OC(O)C1O)CO Formula C6 H12 O6 Name beta-D-mannopyranose; beta-D-mannose; D-mannose; mannose ChEMBL DrugBank ZINC ZINC000003830679 PDB chain 2x6t Chain G Residue 1321 [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 2x6t The Crystal Structure of the Y140F Mutant of Adp-L-Glycero-D-Manno-Heptose 6-Epimerase Bound to Adp-Beta-D-Mannose Suggests a One Base Mechanism. Resolution 2.36 Å Binding residue (original residue number in PDB) S79 S116 F140 K178 M181 Binding residue (residue number reindexed from 1) S79 S116 F140 K178 M181 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) S80 S116 F140 K144 K178 H187 Q277 N282 L283 Catalytic site (residue number reindexed from 1) S80 S116 F140 K144 K178 H187 Q277 N282 L283 Enzyme Commision number 5.1.3.20: ADP-glyceromanno-heptose 6-epimerase.

Gene Ontology Molecular Function GO:0005515 protein binding GO:0008712 ADP-glyceromanno-heptose 6-epimerase activity GO:0016853 isomerase activity GO:0050661 NADP binding GO:0070401 NADP+ binding

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0009103	lipopolysaccharide biosynthetic process
GO:0009244	lipopolysaccharide core region biosynthetic process
GO:0097171	ADP-L-glycero-beta-D-manno-heptose biosynthetic process

	Cellular Component
GO:0005829	cytosol
GO:0016020	membrane

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