1Y6O
Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0002446 | biological_process | neutrophil mediated immunity |
| A | 0004623 | molecular_function | phospholipase A2 activity |
| A | 0005102 | molecular_function | signaling receptor binding |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005543 | molecular_function | phospholipid binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0006644 | biological_process | phospholipid metabolic process |
| A | 0008284 | biological_process | positive regulation of cell population proliferation |
| A | 0009986 | cellular_component | cell surface |
| A | 0010524 | biological_process | positive regulation of calcium ion transport into cytosol |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0019370 | biological_process | leukotriene biosynthetic process |
| A | 0030593 | biological_process | neutrophil chemotaxis |
| A | 0032052 | molecular_function | bile acid binding |
| A | 0032652 | biological_process | regulation of interleukin-1 production |
| A | 0032757 | biological_process | positive regulation of interleukin-8 production |
| A | 0032869 | biological_process | cellular response to insulin stimulus |
| A | 0035556 | biological_process | intracellular signal transduction |
| A | 0043406 | biological_process | positive regulation of MAP kinase activity |
| A | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| A | 0046324 | biological_process | regulation of D-glucose import |
| A | 0046470 | biological_process | phosphatidylcholine metabolic process |
| A | 0046471 | biological_process | phosphatidylglycerol metabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047498 | molecular_function | calcium-dependent phospholipase A2 activity |
| A | 0048146 | biological_process | positive regulation of fibroblast proliferation |
| A | 0050482 | biological_process | arachidonate secretion |
| A | 0050778 | biological_process | positive regulation of immune response |
| A | 0051092 | biological_process | positive regulation of NF-kappaB transcription factor activity |
| A | 1904635 | biological_process | positive regulation of podocyte apoptotic process |
| B | 0002446 | biological_process | neutrophil mediated immunity |
| B | 0004623 | molecular_function | phospholipase A2 activity |
| B | 0005102 | molecular_function | signaling receptor binding |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0005543 | molecular_function | phospholipid binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0006644 | biological_process | phospholipid metabolic process |
| B | 0008284 | biological_process | positive regulation of cell population proliferation |
| B | 0009986 | cellular_component | cell surface |
| B | 0010524 | biological_process | positive regulation of calcium ion transport into cytosol |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0019370 | biological_process | leukotriene biosynthetic process |
| B | 0030593 | biological_process | neutrophil chemotaxis |
| B | 0032052 | molecular_function | bile acid binding |
| B | 0032652 | biological_process | regulation of interleukin-1 production |
| B | 0032757 | biological_process | positive regulation of interleukin-8 production |
| B | 0032869 | biological_process | cellular response to insulin stimulus |
| B | 0035556 | biological_process | intracellular signal transduction |
| B | 0043406 | biological_process | positive regulation of MAP kinase activity |
| B | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| B | 0046324 | biological_process | regulation of D-glucose import |
| B | 0046470 | biological_process | phosphatidylcholine metabolic process |
| B | 0046471 | biological_process | phosphatidylglycerol metabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047498 | molecular_function | calcium-dependent phospholipase A2 activity |
| B | 0048146 | biological_process | positive regulation of fibroblast proliferation |
| B | 0050482 | biological_process | arachidonate secretion |
| B | 0050778 | biological_process | positive regulation of immune response |
| B | 0051092 | biological_process | positive regulation of NF-kappaB transcription factor activity |
| B | 1904635 | biological_process | positive regulation of podocyte apoptotic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA A 207 |
| Chain | Residue |
| A | TYR28 |
| A | GLY30 |
| A | GLY32 |
| A | ASP49 |
| A | MJI217 |
| A | HOH218 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA B 208 |
| Chain | Residue |
| B | ASP49 |
| B | MJI218 |
| B | HOH228 |
| B | TYR28 |
| B | GLY30 |
| B | GLY32 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 A 209 |
| Chain | Residue |
| A | ARG6 |
| A | HIS17 |
| A | PRO18 |
| A | LEU19 |
| A | LEU20 |
| A | HOH309 |
| A | HOH312 |
| B | ARG6 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 B 210 |
| Chain | Residue |
| A | ARG6 |
| A | PO4211 |
| B | ARG6 |
| B | HIS17 |
| B | PRO18 |
| B | LEU19 |
| B | LEU20 |
| B | HOH220 |
| B | HOH222 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 A 211 |
| Chain | Residue |
| A | ARG6 |
| A | LYS10 |
| A | LYS122 |
| A | LYS125 |
| A | HOH321 |
| B | ARG6 |
| B | HIS17 |
| B | PO4210 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PO4 A 212 |
| Chain | Residue |
| A | ARG43 |
| A | HOH277 |
| A | HOH315 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 A 213 |
| Chain | Residue |
| A | ASP39 |
| A | GLU40 |
| A | PRO110 |
| A | ASN112 |
| A | HOH238 |
| A | HOH286 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 B 214 |
| Chain | Residue |
| B | ASP39 |
| B | GLU40 |
| B | PRO110 |
| B | ASN112 |
| B | HOH244 |
| B | HOH246 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 A 215 |
| Chain | Residue |
| A | ASP21 |
| A | LYS62 |
| A | PHE63 |
| A | ASP66 |
| A | TYR111 |
| A | HOH322 |
| B | LYS121 |
| site_id | BC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 B 216 |
| Chain | Residue |
| A | LYS121 |
| B | ASP21 |
| B | LYS62 |
| B | PHE63 |
| B | ASP66 |
| B | TYR111 |
| B | LYS113 |
| site_id | BC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE MJI A 217 |
| Chain | Residue |
| A | LEU2 |
| A | PHE5 |
| A | PRO18 |
| A | LEU19 |
| A | ASN23 |
| A | TYR28 |
| A | GLY30 |
| A | LEU31 |
| A | ASP49 |
| A | TYR69 |
| A | CA207 |
| A | HOH219 |
| A | HOH285 |
| B | MJI218 |
| site_id | BC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE MJI B 218 |
| Chain | Residue |
| A | MJI217 |
| B | PHE5 |
| B | ILE9 |
| B | PRO18 |
| B | LEU19 |
| B | ASN23 |
| B | TYR28 |
| B | GLY30 |
| B | LEU31 |
| B | ASP49 |
| B | TYR69 |
| B | CA208 |
| B | HOH309 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: ACT_SITE => ECO:0000269|PubMed:6876174 |
| Chain | Residue | Details |
| A | HIS48 | |
| A | ASP99 | |
| B | HIS48 | |
| B | ASP99 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P00593 |
| Chain | Residue | Details |
| A | TYR28 | |
| A | GLY30 | |
| A | GLY32 | |
| A | ASP49 | |
| B | TYR28 | |
| B | GLY30 | |
| B | GLY32 | |
| B | ASP49 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | LIPID: N6-palmitoyl lysine => ECO:0000269|PubMed:2498336 |
| Chain | Residue | Details |
| A | LYS56 | |
| B | LYS56 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1n29 |
| Chain | Residue | Details |
| A | HIS48 | |
| A | GLY30 | |
| A | ASP99 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1n29 |
| Chain | Residue | Details |
| B | HIS48 | |
| B | GLY30 | |
| B | ASP99 |
| site_id | MCSA1 |
| Number of Residues | 8 |
| Details | M-CSA 83 |
| Chain | Residue | Details |
| A | TYR28 | metal ligand |
| A | GLY30 | metal ligand |
| A | GLY32 | metal ligand |
| A | HIS48 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ASP49 | metal ligand |
| A | TYR52 | electrostatic stabiliser, hydrogen bond donor |
| A | TYR73 | electrostatic stabiliser, hydrogen bond donor |
| A | ASP99 | electrostatic stabiliser, hydrogen bond acceptor |
| site_id | MCSA2 |
| Number of Residues | 8 |
| Details | M-CSA 83 |
| Chain | Residue | Details |
| B | TYR28 | metal ligand |
| B | GLY30 | metal ligand |
| B | GLY32 | metal ligand |
| B | HIS48 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | ASP49 | metal ligand |
| B | TYR52 | electrostatic stabiliser, hydrogen bond donor |
| B | TYR73 | electrostatic stabiliser, hydrogen bond donor |
| B | ASP99 | electrostatic stabiliser, hydrogen bond acceptor |
