2PZI
Crystal Structure of Protein kinase PknG from Mycobacterium tuberculosis in Complex with Tetrahydrobenzothiophene AX20017
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004674 | molecular_function | protein serine/threonine kinase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0006468 | biological_process | protein phosphorylation |
| A | 0006538 | biological_process | L-glutamate catabolic process |
| A | 0006543 | biological_process | L-glutamine catabolic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0016740 | molecular_function | transferase activity |
| A | 0030682 | biological_process | symbiont-mediated perturbation of host defenses |
| A | 0035556 | biological_process | intracellular signal transduction |
| A | 0042783 | biological_process | symbiont-mediated evasion of host immune response |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0043457 | biological_process | regulation of cellular respiration |
| A | 0044068 | biological_process | symbiont-mediated perturbation of host cellular process |
| A | 0046677 | biological_process | response to antibiotic |
| A | 0046777 | biological_process | protein autophosphorylation |
| A | 0052027 | biological_process | symbiont-mediated perturbation of host signal transduction pathway |
| A | 0052067 | biological_process | symbiont-mediated perturbation of host phagocytosis |
| A | 0052170 | biological_process | symbiont-mediated suppression of host innate immune response |
| A | 0106310 | molecular_function | protein serine kinase activity |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004674 | molecular_function | protein serine/threonine kinase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0006468 | biological_process | protein phosphorylation |
| B | 0006538 | biological_process | L-glutamate catabolic process |
| B | 0006543 | biological_process | L-glutamine catabolic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0016740 | molecular_function | transferase activity |
| B | 0030682 | biological_process | symbiont-mediated perturbation of host defenses |
| B | 0035556 | biological_process | intracellular signal transduction |
| B | 0042783 | biological_process | symbiont-mediated evasion of host immune response |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0043457 | biological_process | regulation of cellular respiration |
| B | 0044068 | biological_process | symbiont-mediated perturbation of host cellular process |
| B | 0046677 | biological_process | response to antibiotic |
| B | 0046777 | biological_process | protein autophosphorylation |
| B | 0052027 | biological_process | symbiont-mediated perturbation of host signal transduction pathway |
| B | 0052067 | biological_process | symbiont-mediated perturbation of host phagocytosis |
| B | 0052170 | biological_process | symbiont-mediated suppression of host innate immune response |
| B | 0106310 | molecular_function | protein serine kinase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 751 |
| Chain | Residue |
| A | ALA148 |
| A | GLU218 |
| A | HIS219 |
| A | HOH880 |
| B | ARG714 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CD A 752 |
| Chain | Residue |
| A | CYS105 |
| A | CYS108 |
| A | CYS128 |
| A | CYS131 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CD B 751 |
| Chain | Residue |
| B | CYS105 |
| B | CYS108 |
| B | CYS128 |
| B | CYS131 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE AXX B 752 |
| Chain | Residue |
| B | ILE157 |
| B | VAL179 |
| B | MET232 |
| B | GLU233 |
| B | TYR234 |
| B | VAL235 |
| B | GLY237 |
| B | ILE292 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE AXX A 753 |
| Chain | Residue |
| A | ALA91 |
| A | MET232 |
| A | GLU233 |
| A | TYR234 |
| A | VAL235 |
| A | ILE292 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 754 |
| Chain | Residue |
| A | PRO417 |
| A | SER418 |
| A | VAL602 |
| A | HOH805 |
| B | GLN478 |
| B | SER482 |
| B | HOH863 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 753 |
| Chain | Residue |
| B | ARG397 |
| B | GLY410 |
| B | SER412 |
| B | GLY568 |
| B | GLU569 |
| B | LEU570 |
| B | HOH764 |
| B | HOH770 |
| B | HOH859 |
| B | HOH880 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 755 |
| Chain | Residue |
| A | GLN475 |
| A | PRO476 |
| A | VAL477 |
| A | GLN478 |
| B | SER420 |
| B | THR421 |
| B | HIS635 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 756 |
| Chain | Residue |
| A | ASP364 |
| A | SER365 |
| A | GLU398 |
| A | GLN402 |
| A | LYS573 |
| A | THR594 |
| A | HOH777 |
| A | HOH825 |
| A | HOH860 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL B 754 |
| Chain | Residue |
| B | PRO417 |
| B | SER418 |
| B | SER454 |
| B | HOH860 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 757 |
| Chain | Residue |
| A | SER420 |
| A | THR421 |
| A | HIS635 |
| B | GLN475 |
| B | VAL477 |
| B | GLN478 |
Functional Information from PROSITE/UniProt
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LvYnDLKpeNIML |
| Chain | Residue | Details |
| A | LEU272-LEU284 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 66 |
| Details | Repeat: {"description":"TPR"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | GLU280 | |
| A | ASP276 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | GLU280 | |
| B | ASP276 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | LYS278 | |
| A | ASP276 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | LYS278 | |
| B | ASP276 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | THR309 | |
| A | LYS278 | |
| A | ASP276 |
| site_id | CSA6 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | THR309 | |
| B | LYS278 | |
| B | ASP276 |
| site_id | CSA7 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | LYS278 | |
| A | ASN281 | |
| A | ASP276 |
| site_id | CSA8 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | LYS278 | |
| B | ASN281 | |
| B | ASP276 |
