3T9F
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PP)2-IP4 (1,5-IP8)
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 | HOH22 |
| A | PHE239 |
| A | MET240 |
| A | ASP246 |
| A | PRO265 |
| A | ASP309 |
| A | LEU311 |
| A | CYS320 |
| A | ASP321 |
| A | HOH368 |
| A | HOH406 |
| A | ARG134 |
| A | HOH413 |
| A | HOH447 |
| A | I8P501 |
| A | CD601 |
| A | MG602 |
| A | PRO149 |
| A | VAL185 |
| A | LYS187 |
| A | HIS194 |
| A | LEU211 |
| A | GLU237 |
| A | GLU238 |
| site_id | AC2 |
| Number of Residues | 45 |
| Details | BINDING SITE FOR RESIDUE I8P A 501 |
| Chain | Residue |
| A | LYS53 |
| A | LYS54 |
| A | HIS194 |
| A | ARG213 |
| A | LYS214 |
| A | LYS248 |
| A | ARG262 |
| A | ARG273 |
| A | ARG281 |
| A | ASP309 |
| A | ASP321 |
| A | ASN323 |
| A | SER326 |
| A | LYS329 |
| A | HOH369 |
| A | ADP401 |
| A | HOH416 |
| A | HOH447 |
| A | HOH450 |
| A | HOH524 |
| A | HOH534 |
| A | HOH538 |
| A | HOH549 |
| A | HOH555 |
| A | HOH580 |
| A | HOH594 |
| A | CD601 |
| A | MG602 |
| A | MG604 |
| A | HOH610 |
| A | HOH614 |
| A | HOH615 |
| A | HOH619 |
| A | HOH622 |
| A | HOH631 |
| A | HOH649 |
| A | HOH650 |
| A | HOH656 |
| A | HOH674 |
| A | HOH681 |
| A | HOH683 |
| A | HOH698 |
| A | HOH709 |
| A | HOH711 |
| A | HOH716 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CD A 601 |
| Chain | Residue |
| A | ASP321 |
| A | ASN323 |
| A | HOH399 |
| A | ADP401 |
| A | I8P501 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 602 |
| Chain | Residue |
| A | HOH22 |
| A | ASP309 |
| A | ASP321 |
| A | ADP401 |
| A | I8P501 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 603 |
| Chain | Residue |
| A | SER68 |
| A | PHE70 |
| A | ILE73 |
| A | HOH508 |
| A | HOH556 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 604 |
| Chain | Residue |
| A | HOH369 |
| A | I8P501 |
| A | HOH534 |
| A | HOH549 |
| A | HOH610 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG A 605 |
| Chain | Residue |
| A | ASN323 |
| A | HOH480 |
| A | HOH483 |
| A | HOH517 |
| A | HOH524 |
| A | HOH599 |
| A | HOH700 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 606 |
| Chain | Residue |
| A | THR304 |
| A | CYS306 |
| A | THR251 |
| A | CYS298 |
| A | GLN303 |
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 |
