4YHF
Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004713 | molecular_function | protein tyrosine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004713 | molecular_function | protein tyrosine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | binding site for residue 4C9 A 701 |
| Chain | Residue |
| A | LEU408 |
| A | GLU475 |
| A | MET477 |
| A | GLY480 |
| A | CYS481 |
| A | ASN484 |
| A | SER538 |
| A | ASP539 |
| A | PHE540 |
| A | LEU542 |
| A | HOH905 |
| A | VAL416 |
| A | HOH907 |
| A | HOH935 |
| A | ALA428 |
| A | LYS430 |
| A | MET449 |
| A | VAL458 |
| A | LEU460 |
| A | ILE472 |
| A | THR474 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 702 |
| Chain | Residue |
| A | SER623 |
| A | GLU624 |
| A | CL714 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 703 |
| Chain | Residue |
| A | GLN497 |
| A | GLU500 |
| A | HOH813 |
| A | HOH861 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | binding site for residue NA A 704 |
| Chain | Residue |
| A | ARG618 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 705 |
| Chain | Residue |
| A | MET570 |
| A | CL715 |
| A | HOH814 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 706 |
| Chain | Residue |
| A | HIS454 |
| A | GLU455 |
| A | HOH926 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 708 |
| Chain | Residue |
| A | GLU567 |
| A | LYS573 |
| A | SER575 |
| A | HOH892 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue NA A 709 |
| Chain | Residue |
| A | ARG520 |
| A | SER543 |
| A | CL716 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 710 |
| Chain | Residue |
| A | ARG520 |
| A | ASP521 |
| A | TRP563 |
| A | SER564 |
| A | PHE574 |
| A | HOH854 |
| A | HOH860 |
| A | HOH931 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 711 |
| Chain | Residue |
| A | THR495 |
| A | GLN496 |
| A | TYR591 |
| A | VAL626 |
| A | GLU658 |
| A | HOH865 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 712 |
| Chain | Residue |
| A | TYR598 |
| A | GLU599 |
| A | ARG600 |
| A | TYR617 |
| A | HOH852 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 713 |
| Chain | Residue |
| A | HIS635 |
| A | GLU636 |
| A | HOH801 |
| A | HOH913 |
| A | HOH947 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 714 |
| Chain | Residue |
| A | SER623 |
| A | GLU624 |
| A | LYS625 |
| A | NA702 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 715 |
| Chain | Residue |
| A | HIS491 |
| A | GLN497 |
| A | MET570 |
| A | NA705 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 716 |
| Chain | Residue |
| A | ARG520 |
| A | SER543 |
| A | PHE574 |
| A | NA709 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 717 |
| Chain | Residue |
| B | TYR598 |
| B | GLU599 |
| B | ARG600 |
| B | CL724 |
| site_id | AD8 |
| Number of Residues | 1 |
| Details | binding site for residue NA B 701 |
| Chain | Residue |
| A | HIS620 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue NA B 702 |
| Chain | Residue |
| A | MET489 |
| A | ARG492 |
| B | GLU407 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue NA B 704 |
| Chain | Residue |
| B | LEU483 |
| B | CL726 |
| B | CL727 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue NA B 705 |
| Chain | Residue |
| B | SER623 |
| B | VAL654 |
| site_id | AE3 |
| Number of Residues | 3 |
| Details | binding site for residue NA B 706 |
| Chain | Residue |
| B | SER623 |
| B | GLU624 |
| B | HOH990 |
| site_id | AE4 |
| Number of Residues | 3 |
| Details | binding site for residue NA B 707 |
| Chain | Residue |
| B | LYS595 |
| B | SO4723 |
| B | HOH819 |
| site_id | AE5 |
| Number of Residues | 1 |
| Details | binding site for residue NA B 708 |
| Chain | Residue |
| B | HOH826 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue NA B 709 |
| Chain | Residue |
| B | GLY533 |
| B | HOH891 |
| B | HOH940 |
| B | MET501 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue NA B 710 |
| Chain | Residue |
| B | TYR591 |
| B | LEU621 |
| B | ALA622 |
| B | SER623 |
| B | CL725 |
| B | HOH854 |
| site_id | AE8 |
| Number of Residues | 3 |
| Details | binding site for residue NA B 711 |
| Chain | Residue |
| B | LEU614 |
| B | ARG615 |
| B | HOH801 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue NA B 712 |
| Chain | Residue |
| B | HOH843 |
| B | HOH933 |
| site_id | AF1 |
| Number of Residues | 3 |
| Details | binding site for residue NA B 713 |
| Chain | Residue |
| B | PRO399 |
| B | GLN467 |
| B | HOH932 |
| site_id | AF2 |
| Number of Residues | 2 |
| Details | binding site for residue NA B 714 |
| Chain | Residue |
| B | TYR545 |
| B | HOH880 |
| site_id | AF3 |
| Number of Residues | 1 |
| Details | binding site for residue NA B 715 |
| Chain | Residue |
| B | ASN603 |
| site_id | AF4 |
| Number of Residues | 4 |
| Details | binding site for residue NA B 716 |
| Chain | Residue |
| B | GLU396 |
| B | THR465 |
| B | LYS466 |
| B | HOH919 |
| site_id | AF5 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 717 |
| Chain | Residue |
| B | ARG520 |
| B | ASP521 |
| B | TRP563 |
| B | SER564 |
| B | PHE574 |
| B | SER578 |
| B | HOH848 |
| B | HOH867 |
| site_id | AF6 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 718 |
| Chain | Residue |
| B | TYR476 |
| site_id | AF7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 719 |
| Chain | Residue |
| B | SER575 |
| B | SER576 |
| site_id | AF8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 720 |
| Chain | Residue |
| B | ALA611 |
| B | GLY613 |
| B | HOH812 |
| B | HOH890 |
| B | HOH946 |
| site_id | AF9 |
| Number of Residues | 8 |
| Details | binding site for residue EDO B 721 |
| Chain | Residue |
| B | TRP588 |
| B | MET596 |
| B | PRO597 |
| B | TYR598 |
| B | GLU599 |
| B | LEU616 |
| B | TYR617 |
| B | CL724 |
| site_id | AG1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 722 |
| Chain | Residue |
| B | GLU445 |
| B | PHE517 |
| B | LEU518 |
| B | ARG520 |
| site_id | AG2 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 723 |
| Chain | Residue |
| B | LYS595 |
| B | TYR617 |
| B | PRO619 |
| B | HIS620 |
| B | NA707 |
| B | HOH852 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 724 |
| Chain | Residue |
| A | NA717 |
| B | TYR598 |
| B | EDO721 |
| B | HOH820 |
| site_id | AG4 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 725 |
| Chain | Residue |
| B | NA710 |
| site_id | AG5 |
| Number of Residues | 2 |
| Details | binding site for residue CL B 726 |
| Chain | Residue |
| B | ARG487 |
| B | NA704 |
| site_id | AG6 |
| Number of Residues | 5 |
| Details | binding site for residue CL B 727 |
| Chain | Residue |
| B | LEU483 |
| B | ARG525 |
| B | TRP563 |
| B | NA704 |
| B | HOH872 |
| site_id | AG7 |
| Number of Residues | 22 |
| Details | binding site for Di-peptide 4C9 B 703 and CYS B 481 |
| Chain | Residue |
| B | LEU408 |
| B | VAL416 |
| B | ALA428 |
| B | LYS430 |
| B | MET449 |
| B | ILE472 |
| B | THR474 |
| B | GLU475 |
| B | MET477 |
| B | GLY480 |
| B | LEU482 |
| B | LEU483 |
| B | ASN484 |
| B | TYR485 |
| B | ARG525 |
| B | CYS527 |
| B | SER538 |
| B | ASP539 |
| B | PHE540 |
| B | HOH859 |
| B | HOH863 |
| B | HOH873 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 23 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGQFGVVKyGkwrgqyd...........VAIK |
| Chain | Residue | Details |
| A | LEU408-LYS430 |
| site_id | PS00109 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FLHrDLAARNCLV |
| Chain | Residue | Details |
| A | PHE517-VAL529 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 506 |
| Details | Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 14 |
| Details | Motif: {"description":"CAV1-binding"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10028","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20052711","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3K54","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OCT","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21280133","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3PIY","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphotyrosine; by LYN and SYK","evidences":[{"source":"PubMed","id":"8630736","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9012831","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15375214","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"15375214","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
