6H59
Crystal structure of Mycobacterium tuberculosis phosphatidylinositol phosphate synthase (PgsA1) with CDP-DAG bound
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003881 | molecular_function | CDP-diacylglycerol-inositol 3-phosphatidyltransferase activity |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0008654 | biological_process | phospholipid biosynthetic process |
| A | 0009274 | cellular_component | peptidoglycan-based cell wall |
| A | 0016020 | cellular_component | membrane |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016780 | molecular_function | phosphotransferase activity, for other substituted phosphate groups |
| A | 0046474 | biological_process | glycerophospholipid biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003881 | molecular_function | CDP-diacylglycerol-inositol 3-phosphatidyltransferase activity |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0008654 | biological_process | phospholipid biosynthetic process |
| B | 0009274 | cellular_component | peptidoglycan-based cell wall |
| B | 0016020 | cellular_component | membrane |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016780 | molecular_function | phosphotransferase activity, for other substituted phosphate groups |
| B | 0046474 | biological_process | glycerophospholipid biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 301 |
| Chain | Residue |
| A | ASP68 |
| A | ASP89 |
| A | ASP93 |
| A | HOH401 |
| A | HOH402 |
| A | HOH407 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue MG A 302 |
| Chain | Residue |
| A | FQT309 |
| A | ASP68 |
| A | ASP71 |
| A | ASP89 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | ARG137 |
| A | HOH426 |
| A | HOH433 |
| B | ALA90 |
| B | LYS135 |
| B | HOH424 |
| B | HOH435 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 304 |
| Chain | Residue |
| A | ARG94 |
| A | SER132 |
| A | GLU151 |
| A | ARG152 |
| A | ARG155 |
| A | ARG195 |
| A | HOH411 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 305 |
| Chain | Residue |
| A | ARG21 |
| A | ARG25 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 306 |
| Chain | Residue |
| A | ARG113 |
| A | ARG115 |
| B | ARG113 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 307 |
| Chain | Residue |
| A | ARG208 |
| A | ARG208 |
| B | ARG78 |
| B | ARG78 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue PGE A 308 |
| Chain | Residue |
| A | GLY52 |
| A | TRP107 |
| A | SER166 |
| A | PRO174 |
| A | HOH442 |
| site_id | AC9 |
| Number of Residues | 26 |
| Details | binding site for residue FQT A 309 |
| Chain | Residue |
| A | PRO30 |
| A | ASP31 |
| A | THR34 |
| A | TRP62 |
| A | VAL65 |
| A | ASP68 |
| A | MET69 |
| A | ASP71 |
| A | GLY72 |
| A | ALA75 |
| A | ARG76 |
| A | GLY81 |
| A | THR82 |
| A | GLY85 |
| A | ALA86 |
| A | ASP89 |
| A | LEU156 |
| A | MG302 |
| A | HOH401 |
| A | HOH402 |
| A | HOH408 |
| A | HOH409 |
| A | HOH432 |
| A | HOH438 |
| A | HOH440 |
| A | HOH446 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue OLB A 310 |
| Chain | Residue |
| A | TRP106 |
| A | SO4318 |
| A | HOH453 |
| B | LEU122 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue OLB A 311 |
| Chain | Residue |
| A | VAL171 |
| A | TRP173 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue OLB A 312 |
| Chain | Residue |
| A | PRO116 |
| A | ILE119 |
| A | TRP182 |
| A | OLB313 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue OLB A 313 |
| Chain | Residue |
| A | VAL189 |
| A | OLB312 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue OLB A 314 |
| Chain | Residue |
| A | TRP182 |
| A | HOH436 |
| A | HOH451 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue OLB A 315 |
| Chain | Residue |
| A | TRP173 |
| A | OLB316 |
| B | SER178 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue OLB A 316 |
| Chain | Residue |
| A | ALA176 |
| A | OLB315 |
| site_id | AD8 |
| Number of Residues | 1 |
| Details | binding site for residue OLB A 317 |
| Chain | Residue |
| A | THR39 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 318 |
| Chain | Residue |
| A | TRP106 |
| A | HIS111 |
| A | OLB310 |
| B | ARG115 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 301 |
| Chain | Residue |
| A | ARG115 |
| B | TRP106 |
| B | HIS111 |
| B | OLB314 |
| site_id | AE2 |
| Number of Residues | 4 |
| Details | binding site for residue MG B 302 |
| Chain | Residue |
| B | ASP68 |
| B | ASP71 |
| B | FQT307 |
| B | HOH402 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue MG B 303 |
| Chain | Residue |
| B | FQT307 |
| B | HOH405 |
| B | HOH408 |
| B | HOH435 |
| B | HOH449 |
| B | ASP89 |
| B | ASP93 |
| site_id | AE4 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 304 |
| Chain | Residue |
| B | SER132 |
| B | GLU151 |
| B | ARG152 |
| B | ARG155 |
| B | ARG195 |
| B | HOH404 |
| B | HOH426 |
| site_id | AE5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 305 |
| Chain | Residue |
| A | ALA90 |
| A | LYS135 |
| A | HOH438 |
| B | ARG137 |
| B | HOH411 |
| B | HOH416 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 306 |
| Chain | Residue |
| A | ARG113 |
| B | ARG113 |
| B | ARG115 |
| B | HOH441 |
| site_id | AE7 |
| Number of Residues | 23 |
| Details | binding site for residue FQT B 307 |
| Chain | Residue |
| A | ILE211 |
| B | PRO30 |
| B | ASP31 |
| B | THR34 |
| B | VAL65 |
| B | ASP68 |
| B | MET69 |
| B | ASP71 |
| B | GLY72 |
| B | GLY81 |
| B | THR82 |
| B | GLY85 |
| B | ASP89 |
| B | MG302 |
| B | MG303 |
| B | HOH402 |
| B | HOH405 |
| B | HOH408 |
| B | HOH412 |
| B | HOH423 |
| B | HOH424 |
| B | HOH448 |
| B | HOH449 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue OLB B 308 |
| Chain | Residue |
| A | SER178 |
| A | VAL179 |
| B | TRP173 |
| B | OLB309 |
| site_id | AE9 |
| Number of Residues | 3 |
| Details | binding site for residue OLB B 309 |
| Chain | Residue |
| B | VAL171 |
| B | TRP173 |
| B | OLB308 |
| site_id | AF1 |
| Number of Residues | 1 |
| Details | binding site for residue OLB B 310 |
| Chain | Residue |
| B | THR47 |
| site_id | AF2 |
| Number of Residues | 1 |
| Details | binding site for residue OLB B 311 |
| Chain | Residue |
| B | TRP182 |
| site_id | AF3 |
| Number of Residues | 2 |
| Details | binding site for residue OLB B 312 |
| Chain | Residue |
| B | TRP182 |
| B | HOH452 |
| site_id | AF4 |
| Number of Residues | 9 |
| Details | binding site for residue 1PE B 313 |
| Chain | Residue |
| A | ARG83 |
| B | GLY52 |
| B | TRP107 |
| B | MET112 |
| B | SER141 |
| B | GLY142 |
| B | SER166 |
| B | PRO174 |
| B | PRO203 |
| site_id | AF5 |
| Number of Residues | 3 |
| Details | binding site for residue OLB B 314 |
| Chain | Residue |
| B | TRP106 |
| B | SO4301 |
| B | HOH466 |
Functional Information from PROSITE/UniProt
| site_id | PS00379 |
| Number of Residues | 23 |
| Details | CDP_ALCOHOL_P_TRANSF CDP-alcohol phosphatidyltransferases signature. DGamARergggtrfGavlDatcD |
| Chain | Residue | Details |
| A | ASP71-ASP93 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 262 |
| Details | TRANSMEM: Helical => ECO:0000269|PubMed:31098408 |
| Chain | Residue | Details |
| A | PRO30-LEU48 | |
| B | ARG115-ALA140 | |
| B | ARG152-SER166 | |
| B | ALA176-TRP200 | |
| A | LEU54-GLU77 | |
| A | ARG83-PHE110 | |
| A | ARG115-ALA140 | |
| A | ARG152-SER166 | |
| A | ALA176-TRP200 | |
| B | PRO30-LEU48 | |
| B | LEU54-GLU77 | |
| B | ARG83-PHE110 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:31098408 |
| Chain | Residue | Details |
| A | ASP93 | |
| B | ASP93 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:31098408 |
| Chain | Residue | Details |
| A | ASP31 | |
| B | ASP68 | |
| B | ASP71 | |
| B | GLY72 | |
| B | ARG76 | |
| B | THR82 | |
| B | ASP89 | |
| B | ASP93 | |
| A | ASP68 | |
| A | ASP71 | |
| A | GLY72 | |
| A | ARG76 | |
| A | THR82 | |
| A | ASP89 | |
| A | ASP93 | |
| B | ASP31 |
