Structure of PDB 3tos Chain B Binding Site BS02

Receptor Information
>3tos Chain B (length=257) Species: 1877 (Micromonospora echinospora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDSGDGQDLRAFVHDSPEETETTQRLTKLLTNSPIPTEELVNNLPLFLRR
HQMTDLLSMDALYRQVLDVPGVIMEFGVRFGRHLGTFAALRGVYEPYNPL
RRIVGFDTFTGFPDVNDVDRVGPTAYQGRFAVPGGYPAYLKEVLDAHECS
DFFGHVTQRSVLVEGDVRETVPRYLAENPQTVIALAYFDLDLYEPTKAVL
EAIRPYLTKGSIVAFDELDNPKWPGENIAMRKVLGLDHAPLRLLPGRPAP
AYLRWGD
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain3tos Chain B Residue 259 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB3tos Crystal Structure of CalS11, Calicheamicin methyltransferase
Resolution1.55 Å
Binding residue
(original residue number in PDB)		D216 E217 K222 W223
Binding residue
(residue number reindexed from 1)		D216 E217 K222 W223
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008171 O-methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3tos, PDBe:3tos, PDBj:3tos
PDBsum3tos
PubMed
UniProtQ8KNF1

[Back to BioLiP]