2FUM
Catalytic domain of protein kinase PknB from Mycobacterium tuberculosis in complex with mitoxantrone
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
| C | 0004672 | molecular_function | protein kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006468 | biological_process | protein phosphorylation |
| D | 0004672 | molecular_function | protein kinase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0006468 | biological_process | protein phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE MIX A 539 |
| Chain | Residue |
| A | LEU17 |
| A | ALA142 |
| A | ASN143 |
| A | MET145 |
| B | ASP219 |
| A | PHE19 |
| A | ALA38 |
| A | GLU93 |
| A | TYR94 |
| A | VAL95 |
| A | GLY97 |
| A | ASP102 |
| A | LYS140 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE MIX B 1539 |
| Chain | Residue |
| A | ASP219 |
| B | LEU17 |
| B | GLY18 |
| B | PHE19 |
| B | ALA38 |
| B | GLU93 |
| B | TYR94 |
| B | VAL95 |
| B | GLY97 |
| B | LYS140 |
| B | ASN143 |
| B | MET145 |
| B | ASP156 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE MIX C 2539 |
| Chain | Residue |
| C | LEU17 |
| C | PHE19 |
| C | ALA38 |
| C | MET92 |
| C | GLU93 |
| C | VAL95 |
| C | GLY97 |
| C | ASN143 |
| C | MET155 |
| C | ASP156 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE MIX D 3539 |
| Chain | Residue |
| D | LEU17 |
| D | GLY18 |
| D | PHE19 |
| D | VAL25 |
| D | ALA38 |
| D | MET92 |
| D | VAL95 |
| D | GLY97 |
| D | VAL98 |
| D | ASP138 |
| D | ASN143 |
| D | MET145 |
| D | MET155 |
| D | ASP156 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGFGGMSEVHlArdlrlhrd..........VAVK |
| Chain | Residue | Details |
| A | LEU17-LYS40 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDVKpaNIMI |
| Chain | Residue | Details |
| A | ILE134-ILE146 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 56 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12548283","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12551895","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Binding site: {} |
| 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 | ALA142 | |
| A | ASP138 |
| site_id | CSA10 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | THR179 | |
| B | ASP138 | |
| B | LYS140 |
| site_id | CSA11 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | THR179 | |
| D | ASP138 | |
| D | LYS140 |
| site_id | CSA12 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP138 | |
| A | ASN143 | |
| A | LYS140 |
| site_id | CSA13 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | ASP138 | |
| B | ASN143 | |
| B | LYS140 |
| site_id | CSA14 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| C | ASP138 | |
| C | ASN143 | |
| C | LYS140 |
| site_id | CSA15 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | ASP138 | |
| D | ASN143 | |
| D | LYS140 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | ALA142 | |
| B | ASP138 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| C | ALA142 | |
| C | ASP138 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | ALA142 | |
| D | ASP138 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP138 | |
| A | LYS140 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| B | ASP138 | |
| B | LYS140 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| C | ASP138 | |
| C | LYS140 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| D | ASP138 | |
| D | LYS140 |
| site_id | CSA9 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | THR179 | |
| A | ASP138 | |
| A | LYS140 |
