Structure of PDB 3vet Chain A Binding Site BS01

Receptor Information
>3vet Chain A (length=567) Species: 1933 (Streptoalloteichus tenebrarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRVLGLNGWPRDFHDASAALLVDGRIAAFAEEERLTRKKHGYNTAPVQA
AAFCLAQAGLTVDDLDAVAFGWDLPAMYRERLGGWPHSDSEALDILLPRD
VFPRRTDPPLHFVQHHLAHAASAYYFSGEDRGAVLIVDGQGEEECVTLAH
AEGGKITVLDTVPGAWSLGFFYEHVSEYTGLGGDNPGKLMGLAAHGTTVD
ETLSAFAFDSDGYRLNLIDPQARDPEDWDEYSVTERAWFAHLERIYRLPP
NEFVRRYDPAKGRVVRDTRRDPYEYRDLAATAQAALERAVFGLADSVLAR
TGERTLFVAGGVGLNATMNGKLLTRSTVDKMFVPPVASDIGVSLGAAAAV
AVELGDRIAPMGDTAAWGPEFSPDQVRAALDRTGLAYREPANLEREVAAL
IASGKVVGWAQGRGEVGPRALGQRSLLGSAHSPTMRDHINLRVKDREWWR
PFAPSMLRSVSDQVLEVDADFPYMIMTTKVRAAYAERLPSVVHEDWSTRP
QTVTEASNPRYHRMLTELGDLVGDPVCLNTSFNDRGEPIVSSPADALLTF
SRLPIDALAVGPYLVTK
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3vet Chain A Residue 601 [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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PDB3vet The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G190 R418 K443 R445 R449 P450 H492 R498 N532 R534
Binding residue
(residue number reindexed from 1)		G191 R419 K444 R446 R450 P451 H493 R499 N533 R535
Annotation score4
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:3vet, PDBe:3vet, PDBj:3vet
PDBsum3vet
PubMed22383337
UniProtQ70IY1|TOBZ_STRSD nebramycin 5' synthase (Gene Name=tobZ)

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