Structure of PDB 1f0p Chain A Binding Site BS01

Receptor Information
>1f0p Chain A (length=284) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRPGLPVEYLQVPSPSMGRDIKVQFQSGGNNSPAVYLLDGLRAQDDYNGW
DINTPAFEWYYQSGLSIVMPVGGQSSFYSDWYSPACGKAGCQTYKWETFL
TSELPQWLSANRAVKPTGSAAIGLSMAGSSAMILAAYHPQQFIYAGSLSA
LLDPSQGMGPSLIGLAMGDAGGYKAADMWGPSSDPAWERNDPTQQIPKLV
ANNTRLWVYCGNGTPNELGGANIPAEFLENFVRSSNLKFQDAYNAAGGHN
AVFNFPPNGTHSWEYWGAQLNAMKGDLQSSLGAG
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain1f0p Chain B Residue 1 [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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PDB1f0p An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G41 L42 R43 S126 W264
Binding residue
(residue number reindexed from 1)		G40 L41 R42 S125 W263
Annotation score2
Enzymatic activity
Enzyme Commision number 2.3.1.122: trehalose O-mycolyltransferase.
2.3.1.20: diacylglycerol O-acyltransferase.
Gene Ontology
Molecular Function
GO:0001968 fibronectin binding
GO:0004144 diacylglycerol O-acyltransferase activity
GO:0005515 protein binding
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0035375 zymogen binding
GO:0050348 trehalose O-mycolyltransferase activity
Biological Process
GO:0010756 positive regulation of plasminogen activation
GO:0040009 regulation of growth rate
GO:0046677 response to antibiotic
GO:0052572 response to host immune response
Cellular Component
GO:0005576 extracellular region
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1f0p, PDBe:1f0p, PDBj:1f0p
PDBsum1f0p
PubMed11254389
UniProtP9WQP1|A85B_MYCTU Diacylglycerol acyltransferase/mycolyltransferase Ag85B (Gene Name=fbpB)

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