2FJM
The structure of phosphotyrosine phosphatase 1B in complex with compound 2
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004725 | molecular_function | protein tyrosine phosphatase activity |
| A | 0006470 | biological_process | protein dephosphorylation |
| A | 0016311 | biological_process | dephosphorylation |
| B | 0004725 | molecular_function | protein tyrosine phosphatase activity |
| B | 0006470 | biological_process | protein dephosphorylation |
| B | 0016311 | biological_process | dephosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL B 799 |
| Chain | Residue |
| B | ARG524 |
| B | ARG754 |
| B | GLN762 |
| B | 073801 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 799 |
| Chain | Residue |
| A | ARG524 |
| A | ARG754 |
| A | GLN762 |
| B | ARG524 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 800 |
| Chain | Residue |
| B | HOH850 |
| B | HOH857 |
| B | HOH873 |
| B | HOH914 |
| B | HOH945 |
| B | HIS554 |
| site_id | AC4 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE 073 A 800 |
| Chain | Residue |
| A | TYR546 |
| A | ARG547 |
| A | ASP548 |
| A | VAL549 |
| A | ASP681 |
| A | PHE682 |
| A | CYS715 |
| A | SER716 |
| A | ALA717 |
| A | GLY718 |
| A | ILE719 |
| A | GLY720 |
| A | ARG721 |
| A | MET758 |
| A | GLN762 |
| A | HOH802 |
| B | ALA518 |
| B | ASP522 |
| B | HIS525 |
| site_id | AC5 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE 073 B 801 |
| Chain | Residue |
| A | ALA518 |
| A | ASP522 |
| A | HIS525 |
| A | GLU526 |
| B | TYR546 |
| B | ARG547 |
| B | ASP548 |
| B | VAL549 |
| B | ASP681 |
| B | PHE682 |
| B | CYS715 |
| B | SER716 |
| B | ALA717 |
| B | GLY718 |
| B | ILE719 |
| B | GLY720 |
| B | ARG721 |
| B | MET758 |
| B | GLN762 |
| B | CL799 |
| B | HOH804 |
Functional Information from PROSITE/UniProt
| site_id | PS00383 |
| Number of Residues | 11 |
| Details | TYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRSG |
| Chain | Residue | Details |
| A | VAL713-GLY723 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Phosphocysteine intermediate"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 14 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N-acetylmethionine","evidences":[{"source":"PubMed","id":"2546149","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine; by PKB/AKT1, CLK1 and CLK2","evidences":[{"source":"PubMed","id":"10480872","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11579209","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphotyrosine; by EGFR","evidences":[{"source":"PubMed","id":"9355745","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"S-nitrosocysteine; in reversibly inhibited form","evidences":[{"source":"PubMed","id":"22169477","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine; by CLK1 and CLK2","evidences":[{"source":"PubMed","id":"10480872","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 4 |
| Details | Cross-link: {"description":"N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form","evidences":[{"source":"PubMed","id":"12802338","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12802339","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1d5r |
| Chain | Residue | Details |
| A | ARG721 | |
| A | CYS715 | |
| A | ASP681 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1d5r |
| Chain | Residue | Details |
| B | ARG721 | |
| B | CYS715 | |
| B | ASP681 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1d5r |
| Chain | Residue | Details |
| A | ARG721 | |
| A | SER722 | |
| A | CYS715 | |
| A | ASP681 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1d5r |
| Chain | Residue | Details |
| B | ARG721 | |
| B | SER722 | |
| B | CYS715 | |
| B | ASP681 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 469 |
| Chain | Residue | Details |
| A | ASP681 | proton shuttle (general acid/base) |
| A | CYS715 | covalent catalysis |
| A | ARG721 | activator, electrostatic stabiliser |
| A | SER722 | activator, electrostatic stabiliser |
| A | GLN762 | steric role |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 469 |
| Chain | Residue | Details |
| B | ASP681 | proton shuttle (general acid/base) |
| B | CYS715 | covalent catalysis |
| B | ARG721 | activator, electrostatic stabiliser |
| B | SER722 | activator, electrostatic stabiliser |
| B | GLN762 | steric role |
