Structure of PDB 3vez Chain A Binding Site BS03

Receptor Information
>3vez Chain A (length=566) Species: 1933 (Streptoalloteichus tenebrarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVLGLNGWPRDFHDASAALLVDGRIAAFAEEERFTRKKHGYNTAPVQAA
AFCLAQAGLTVDDLDAVAFGWDLPAMYRERLGGWPHSDSEALDILLPRDV
FPRRTDPPLHFVQHHLAHAASAYYFSGEDRGAVLIVDGQGEEECVTLAHA
EGGKITVLDTVPGAWSLGFFYEHVSEYTGLGGDNPGKLMGLAAHGTTVDE
TLSAFAFDSDGYRLNLIDPQARDPEDWDEYSVTERAWFAHLERIYRLPPN
EFVRRYDPAKGRVVRDTRRDPYEYRDLAATAQAALERAVFGLADSVLART
GERTLFVAGGVGLNATMNGKLLTRSTVDKMFVPPVASDIGVSLGAAAAVA
VELGDRIAPMGDTAAWGPEFSPDQVRAALDRTGLAYREPANLEREVAALI
ASGKVVGWAQGRGEVGPRALGQRSLLGSAHSPTMRDHINLRVADREWWRP
FAPSMLRSVSDQVLEVDADFPYMIMTTKVRAAYAERLPSVVHEDWSTRPQ
TVTEASNPRYHRMLTELGDLVGDPVCLNTSFNDRGEPIVSSPADALLTFS
RLPIDALAVGPYLVTK
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain3vez Chain A Residue 604 [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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PDB3vez The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K39 G186 R418 R449 P450 H492 R498
Binding residue
(residue number reindexed from 1)		K39 G186 R418 R449 P450 H492 R498
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.2.2: nebramycin 5' synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0005524 ATP binding
GO:0016743 carboxyl- or carbamoyltransferase activity
GO:0016787 hydrolase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:1901121 tobramycin biosynthetic process
GO:1901133 kanamycin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3vez, PDBe:3vez, PDBj:3vez
PDBsum3vez
PubMed22383337
UniProtQ70IY1|TOBZ_STRSD nebramycin 5' synthase (Gene Name=tobZ)

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