Structure of PDB 3o0m Chain B Binding Site BS01

Receptor Information
>3o0m Chain B (length=135) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCVFCAIVSGDAPAIRIYEDENFLGILDIRPFTRGHTLVIPKTHTVDLTD
TPPETVAGMAAVGQRIARAARESGLHADGNNIAINDGKAAFQTVFHIHLH
VVPRRNGDKLSFRRDPDREESGRLLRAALAQLDSA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3o0m Chain B Residue 151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3o0m Increasing the structural coverage of tuberculosis drug targets.
Resolution1.9 Å
Binding residue
(original residue number in PDB)
C3 C6 H45 H97
Binding residue
(residue number reindexed from 1)
C2 C5 H44 H96
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N86 H97 H99 H101
Catalytic site (residue number reindexed from 1) N85 H96 H98 H100
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0047627 adenylylsulfatase activity
Biological Process
GO:0006790 sulfur compound metabolic process
GO:0009150 purine ribonucleotide metabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:3o0m, PDBe:3o0m, PDBj:3o0m
PDBsum3o0m
PubMed25613812
UniProtA0R291

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