Structure of PDB 1f0p Chain A Binding Site BS02

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 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		R43 A226 H262
Binding residue
(residue number reindexed from 1)		R42 A225 H261
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

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Molecular Function
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Biological Process
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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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