Structure of PDB 5fbt Chain A Binding Site BS01

Receptor Information
>5fbt Chain A (length=769) Species: 265669 (Listeria monocytogenes serotype 4b str. F2365) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPYVLKFQEISEALVGGKGMNLGACSNIEGVHVPAGFCLTTEAYKEFTQL
LQRLAIREISETIRTLIQHTQIPSEIASYMDATMPFAVLLQHISMCWASL
FTEVQLAVVIQQMISPEASGILFTADPITSNRKSLSIDASFGLGESGLVS
ADSYTVRENTITNKIIATKKLAETRILEKSQQTKQTLTDQQIIQLAKLGR
KIEAYFGKPQDIEWCLAEGAFYIVQSRPITTLYPIPEVNEPGNRVYISVA
HQQMMTDAMKPLGLSFYLMTTPATMYTAGGRLFVDITQSLSAKVSRDMMV
NSLGQSDPLIKDALLTVINKKGFLPPLPTVRSIPDSSSVFELVRNSENSI
KHLKQSIETKSGSDLFDFIVEDLEELKRVLFNPTSIDAIMAGMDASAWLN
EHIYQWLGEKNVADKLSESAPNNITSQMGLELLDVADVIRPYPAVRAYLE
QTKNPDFMNELATLEGGAETKKALEDYLQKYGMRCAGEIDLTKTRWIENP
LTLIPLILSNIKNFDSSASMHKFAQGEKEAFHKEQEILRRLQELPDGEQK
AMETKEKIDILRHFIGYREYPKYGMINRYFIYKLALLRAGEQLVKDGILQ
EHEDIYFLYFEELREVVRTGQVDYELINARKRDFATFEKLTPPRILTSDG
EMINGEYKRENLPKDAILGLPVSSGTVEGRARVILEMEKADLEDGDILVT
AYTDPSWTPAFVSIKGLVTEVGGLMTHGAVIAREYGLPAVVGVENATTII
KDGQQIRINGTEGYIEILD
Ligand information
Ligand ID5WQ
InChIInChI=1S/C43H64N4O11/c1-11-56-41-28(7)38(51)33-31-21-30(22-44-47-18-16-46(9)17-19-47)35(39(33)52)45-42(53)24(3)14-12-13-23(2)36(49)26(5)37(50)27(6)40(58-29(8)48)25(4)32(55-10)15-20-57-43(54)34(31)41/h12-13,15,20-21,23-27,32,37,40,43-44,50-52,54H,11,14,16-19,22H2,1-10H3,(H,45,53)/b13-12+,20-15-/t23-,24+,25-,26+,27+,32-,37-,40-,43-/m1/s1
InChIKeyGKIQTWBZJKGLKG-FVKVYWJVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCOc1c(c(c2c3c1C(OC=CC(C(C(C(C(C(C(=O)C(C=CCC(C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C
OpenEye OEToolkits 2.0.4CCOc1c(c(c2c3c1[C@@H](O/C=C\[C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](/C=C/C[C@@H](C(=O)Nc(c2O)c(c3)CNN4CCN(CC4)C)C)C)C)O)C)OC(=O)C)C)OC)O)O)C
CACTVS 3.385CCOc1c(C)c(O)c2c(O)c3NC(=O)[C@@H](C)C/C=C/[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)\C=C/O[C@@H](O)c1c2cc3CNN4CCN(C)CC4
CACTVS 3.385CCOc1c(C)c(O)c2c(O)c3NC(=O)[CH](C)CC=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC)C=CO[CH](O)c1c2cc3CNN4CCN(C)CC4
FormulaC43 H64 N4 O11
NameRifampin
ChEMBL
DrugBank
ZINCZINC000263620464
PDB chain5fbt Chain A Residue 901 [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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PDB5fbt Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Resolution2.702 Å
Binding residue
(original residue number in PDB)		V333 Y351 T355 P356 V368 L387 L478 F479 M673
Binding residue
(residue number reindexed from 1)		V249 Y267 T271 P272 V284 L303 L380 F381 M575
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K22
Catalytic site (residue number reindexed from 1) K18
Enzyme Commision number 2.7.9.6: rifampicin phosphotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5fbt, PDBe:5fbt, PDBj:5fbt
PDBsum5fbt
PubMed27103605
UniProtA0A0X1KHF9|RPH_LISMF Rifampicin phosphotransferase (Gene Name=rph)

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