1KC7
Pyruvate Phosphate Dikinase with Bound Mg-phosphonopyruvate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006090 | biological_process | pyruvate metabolic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016310 | biological_process | phosphorylation |
| A | 0016772 | molecular_function | transferase activity, transferring phosphorus-containing groups |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050242 | molecular_function | pyruvate, phosphate dikinase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG A 1001 |
| Chain | Residue |
| A | GLU745 |
| A | ASP769 |
| A | PPR1000 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1002 |
| Chain | Residue |
| A | ARG337 |
| A | LYS22 |
| A | MET99 |
| A | PRO100 |
| A | GLY101 |
| A | MET102 |
| A | MET103 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1003 |
| Chain | Residue |
| A | ARG523 |
| A | TRP527 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1004 |
| Chain | Residue |
| A | LYS718 |
| A | GLU758 |
| A | ARG823 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1005 |
| Chain | Residue |
| A | PRO660 |
| A | MET661 |
| A | ARG665 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PPR A 1000 |
| Chain | Residue |
| A | ARG561 |
| A | ARG617 |
| A | MET743 |
| A | GLU745 |
| A | GLY766 |
| A | THR767 |
| A | ASN768 |
| A | ASP769 |
| A | GLY832 |
| A | MG1001 |
Functional Information from PROSITE/UniProt
| site_id | PS00370 |
| Number of Residues | 12 |
| Details | PEP_ENZYMES_PHOS_SITE PEP-utilizing enzymes phosphorylation site signature. GGmTsHAAVVAR |
| Chain | Residue | Details |
| A | GLY450-ARG461 |
| site_id | PS00742 |
| Number of Residues | 19 |
| Details | PEP_ENZYMES_2 PEP-utilizing enzymes signature 2. EfFSFGTNDLtQMTFGfsR |
| Chain | Residue | Details |
| A | GLU761-ARG779 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Tele-phosphohistidine intermediate => ECO:0000269|PubMed:11468288 |
| Chain | Residue | Details |
| A | ALA456 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:7857929, ECO:0000305|PubMed:8610096 |
| Chain | Residue | Details |
| A | GLY832 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255 |
| Chain | Residue | Details |
| A | SER93 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 7 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8610096 |
| Chain | Residue | Details |
| A | THR562 | |
| A | TYR618 | |
| A | ILE746 | |
| A | THR767 | |
| A | ASN768 | |
| A | ASP769 | |
| A | LEU770 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine; by PDRP1 => ECO:0000250 |
| Chain | Residue | Details |
| A | SER454 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 8 |
| Details | a catalytic site defined by CSA, PubMed 11790099, 9753432 |
| Chain | Residue | Details |
| A | HIS455 | |
| A | MET103 | |
| A | GLY101 | |
| A | LYS22 | |
| A | ARG337 | |
| A | CYS831 | |
| A | SER764 | |
| A | TYR851 |
| site_id | MCSA1 |
| Number of Residues | 9 |
| Details | M-CSA 207 |
| Chain | Residue | Details |
| A | GLY23 | electrostatic stabiliser, hydrogen bond donor |
| A | SER93 | electrostatic stabiliser, hydrogen bond donor |
| A | MET102 | electrostatic stabiliser, hydrogen bond donor |
| A | ASP104 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN338 | electrostatic stabiliser, hydrogen bond donor |
| A | ALA456 | covalently attached, nucleofuge, nucleophile, polar interaction |
| A | PHE765 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | GLY832 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | VAL852 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
