Structure of PDB 6wh5 Chain A Binding Site BS01

Receptor Information
>6wh5 Chain A (length=186) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHLTRIYTRTGDDGTTGLSDMSRVAKTDARLVAYADCDEANAAIGAALAL
GHPDTQITDVLRQIQNDLFDAGADLSTPIVENPKHPPLRIAQSYIDRLEG
WCDAYNAGLPALKSFVLPGGSPLSALLHVARTVVRRAERSAWAAVDAHPE
GVSVLPAKYLNRLSDLLFILSRVANPDGDVLWRPGG
Ligand information
Ligand ID3PO
InChIInChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyUNXRWKVEANCORM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0OP(=O)(O)OP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)OP(=O)(O)O)(O)O
FormulaH5 O10 P3
NameTRIPHOSPHATE
ChEMBLCHEMBL1230191
DrugBankDB03896
ZINCZINC000006827739
PDB chain6wh5 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wh5 Mobile loop dynamics in adenosyltransferase control binding and reactivity of coenzyme B 12 .
Resolution1.866 Å
Binding residue
(original residue number in PDB)		T10 R11 G13 T18 K28
Binding residue
(residue number reindexed from 1)		T8 R9 G11 T16 K26
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.17: corrinoid adenosyltransferase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008817 corrinoid adenosyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0009236 cobalamin biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wh5, PDBe:6wh5, PDBj:6wh5
PDBsum6wh5
PubMed33199623
UniProtP9WP99|PDUO_MYCTU Corrinoid adenosyltransferase (Gene Name=Rv1314c)

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