Structure of PDB 4q12 Chain A Binding Site BS01

Receptor Information
>4q12 Chain A (length=232) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMVTILILTDNVHAHALAVDLQARHGDMDVYQSPIGQLPGVPRCDVAERV
AEIVERYDLVLSFHCKQRFPAALIDGVRCVNVHPGFNPYNRGWFPQVFSI
IDGQKVGVTIHEIDDQLDHGPIIAQRECAIESWDSSGSVYARLMDIEREL
VLEHFDAIRDGSYTAKSPATEGNLNLKKDFEQLRRLDLNERGTFGHFLNR
LRALTHDDFRNAWFVDASGRKVFVRVVLEPEK
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain4q12 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q12 Crystal structure of a putative uncharacterized protein Rv3404c and likely sugar N-formyltransferase from Mycobacterium tuberculosis
Resolution2.85 Å
Binding residue
(original residue number in PDB)		N10 H63 K65 F93 Q95 Y139 H205 F208 N210
Binding residue
(residue number reindexed from 1)		N11 H64 K66 F94 Q96 Y140 H206 F209 N211
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.2.-
Gene Ontology
Molecular Function
GO:0004479 methionyl-tRNA formyltransferase activity
GO:0016740 transferase activity
GO:0016742 hydroxymethyl-, formyl- and related transferase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006413 translational initiation
GO:0009058 biosynthetic process
GO:0071951 conversion of methionyl-tRNA to N-formyl-methionyl-tRNA
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4q12, PDBe:4q12, PDBj:4q12
PDBsum4q12
PubMed
UniProtP9WKZ3|SUGFT_MYCTU dTDP-4-amino-4,6-dideoxyglucose formyltransferase (Gene Name=Rv3404c)

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