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Structure of PDB 3upt Chain A Binding Site BS04

Receptor Information >3upt Chain A (length=671) Species: 271848 (Burkholderia thailandensis E264) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SPASTTLMANAIRALAMDAVQQANSGHPGMPMGMAEIGVALWSRHLKHNP TNPHWADRDRFVLSNGHGSMLLYSLLHLTGYDLPIEELKNFRQLHSKTPG HPEYGITPGVETTTGPLGQGLANAVGMALGEALLAAEFNRDDAKIVDHHT YVFLGDGCLMEGISHEACSLAGTLKLNKLIALYDDNGISIDGDVVNWFHD DTPKRFEAYGWNVIPNVNGHDVDAIDAAIAKAKRSDKPSLICCKTRIGNG AATKAGGHDVHGAPLGADEIAKTREALGWTWAPFVIPQEVYAAWDAKEAG KRSEDDWNAAFAQYRAKYPAEAAEFERRMAGTLPADWAAKAAAIVAGANE RGETVATRKASQQTIEGLAAVLPELLGGSADLTGSNLTNWKASKAVRANA DGPGVQWGNHINYGVREFGMSAAINGLVLHGGYKPFGGTFLTFSDYSRNA LRVAALMKVPSIFVFTHDSIGLGEDGPTHQSVEHVASLRLIPNLDVWRPA DTVETAVAWTYAVAHQHPSCLIFSRQNLAFNARTDAQLANVEKGGYVLRD WDEEIVARKIILIATGSEVELAMKAVEPLAQQGIAARVVSMPSSDVFDRQ DAEYRERVLPHGVRRVAIEAGVTDFWRKYVGLEGGVVGIDTFGESAPAGV LFKHFGFTVEHVIETAKAVLA

Ligand information Ligand ID RP5 InChI InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 InChIKey KTVPXOYAKDPRHY-TXICZTDVSA-N SMILES Software SMILES CACTVS 3.370 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O OpenEye OEToolkits 1.7.0 C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O OpenEye OEToolkits 1.7.0 C(C1C(C(C(O1)O)O)O)OP(=O)(O)O CACTVS 3.370 O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O ACDLabs 12.01 O=P(O)(O)OCC1OC(O)C(O)C1O Formula C5 H11 O8 P Name 5-O-phosphono-beta-D-ribofuranose; [(2R,3S,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE; 5-O-phosphono-beta-D-ribose; 5-O-phosphono-D-ribose; 5-O-phosphono-ribose ChEMBL CHEMBL1235722 DrugBank DB04352 ZINC ZINC000004228241 PDB chain 3upt Chain A Residue 694 [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 3upt Combining functional and structural genomics to sample the essential Burkholderia structome. Resolution 2.4 Å Binding residue (original residue number in PDB) S404 H486 D494 R544 Binding residue (residue number reindexed from 1) S385 H467 D475 R525 Annotation score 2

Enzymatic activity Catalytic site (original residue number in PDB) H46 I266 H280 E436 H498 Catalytic site (residue number reindexed from 1) H27 I247 H261 E417 H479 Enzyme Commision number 2.2.1.1: transketolase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0004802 transketolase activity GO:0016740 transferase activity GO:0046872 metal ion binding

	Biological Process
GO:0006098	pentose-phosphate shunt

	Cellular Component
GO:0005829	cytosol

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