3T9E
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP, 5-(PP)-IP5 (5-IP7) and MgF3 (transition state mimic)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000829 | molecular_function | inositol heptakisphosphate kinase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE ADP A 401 |
| Chain | Residue |
| A | HOH18 |
| A | GLU238 |
| A | PHE239 |
| A | MET240 |
| A | ASP246 |
| A | PRO265 |
| A | ASP309 |
| A | LEU311 |
| A | CYS320 |
| A | ASP321 |
| A | HOH534 |
| A | HOH27 |
| A | HOH562 |
| A | MG601 |
| A | MG602 |
| A | MGF701 |
| A | HOH764 |
| A | ARG134 |
| A | PRO149 |
| A | VAL185 |
| A | LYS187 |
| A | HIS194 |
| A | LEU211 |
| A | GLU237 |
| site_id | AC2 |
| Number of Residues | 42 |
| Details | BINDING SITE FOR RESIDUE I7P A 501 |
| Chain | Residue |
| A | LYS53 |
| A | LYS54 |
| A | ARG213 |
| A | LYS214 |
| A | LYS248 |
| A | ARG262 |
| A | ARG273 |
| A | ARG281 |
| A | ASN323 |
| A | SER326 |
| A | PHE327 |
| A | LYS329 |
| A | HOH426 |
| A | HOH460 |
| A | HOH468 |
| A | HOH515 |
| A | HOH532 |
| A | HOH545 |
| A | HOH548 |
| A | HOH559 |
| A | HOH565 |
| A | HOH566 |
| A | HOH595 |
| A | HOH597 |
| A | MG604 |
| A | HOH610 |
| A | HOH646 |
| A | HOH648 |
| A | HOH657 |
| A | HOH659 |
| A | HOH671 |
| A | HOH676 |
| A | HOH680 |
| A | HOH699 |
| A | MGF701 |
| A | HOH712 |
| A | HOH713 |
| A | HOH714 |
| A | HOH730 |
| A | HOH741 |
| A | HOH748 |
| A | HOH796 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 601 |
| Chain | Residue |
| A | ASP321 |
| A | ASN323 |
| A | ADP401 |
| A | MGF701 |
| A | HOH764 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 602 |
| Chain | Residue |
| A | HOH18 |
| A | ASP309 |
| A | ASP321 |
| A | ADP401 |
| A | MGF701 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 603 |
| Chain | Residue |
| A | SER68 |
| A | PHE70 |
| A | ILE73 |
| A | HOH419 |
| A | HOH430 |
| A | HOH645 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 604 |
| Chain | Residue |
| A | I7P501 |
| A | HOH545 |
| A | HOH646 |
| A | HOH648 |
| A | HOH699 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 605 |
| Chain | Residue |
| A | HOH26 |
| A | HOH518 |
| A | HOH595 |
| A | HOH638 |
| A | HOH675 |
| A | HOH680 |
| site_id | AC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE MGF A 701 |
| Chain | Residue |
| A | ASN323 |
| A | ADP401 |
| A | I7P501 |
| A | MG601 |
| A | MG602 |
| A | HOH610 |
| A | HOH764 |
| A | HOH18 |
| A | HIS194 |
| A | ARG213 |
| A | LYS248 |
| A | ASP309 |
| A | ASP321 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T9C, ECO:0007744|PDB:3T9D, ECO:0007744|PDB:3T9E, ECO:0007744|PDB:3T9F |
| Chain | Residue | Details |
| A | LYS53 | |
| A | LYS248 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T54, ECO:0007744|PDB:3T7A, ECO:0007744|PDB:3T99, ECO:0007744|PDB:3T9A, ECO:0007744|PDB:3T9B, ECO:0007744|PDB:3T9C, ECO:0007744|PDB:3T9D, ECO:0007744|PDB:3T9E, ECO:0007744|PDB:3T9F |
| Chain | Residue | Details |
| A | ARG134 | |
| A | LYS187 | |
| A | HIS194 | |
| A | GLU237 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T9A, ECO:0007744|PDB:3T9B, ECO:0007744|PDB:3T9C, ECO:0007744|PDB:3T9D |
| Chain | Residue | Details |
| A | ARG213 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T54, ECO:0007744|PDB:3T9A, ECO:0007744|PDB:3T9B, ECO:0007744|PDB:3T9C, ECO:0007744|PDB:3T9D |
| Chain | Residue | Details |
| A | ASP246 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T9C, ECO:0007744|PDB:3T9E, ECO:0007744|PDB:3T9F |
| Chain | Residue | Details |
| A | ARG262 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T54, ECO:0007744|PDB:3T7A |
| Chain | Residue | Details |
| A | SER264 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T54, ECO:0007744|PDB:3T7A, ECO:0007744|PDB:3T99, ECO:0007744|PDB:3T9B, ECO:0007744|PDB:3T9C, ECO:0007744|PDB:3T9D, ECO:0007744|PDB:3T9E, ECO:0007744|PDB:3T9F |
| Chain | Residue | Details |
| A | ASP309 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T54 |
| Chain | Residue | Details |
| A | ASP321 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22119861, ECO:0007744|PDB:3T9D, ECO:0007744|PDB:3T9E |
| Chain | Residue | Details |
| A | SER326 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER223 |
