5U94
Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the potential theraputic kinase inhibitor GSK690693.
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue G93 A 301 |
| Chain | Residue |
| A | PHE19 |
| A | ASP156 |
| A | PHE157 |
| A | MG310 |
| A | HOH433 |
| A | VAL25 |
| A | LYS40 |
| A | GLU59 |
| A | VAL72 |
| A | MET92 |
| A | GLU93 |
| A | VAL95 |
| A | MET155 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 302 |
| Chain | Residue |
| A | VAL250 |
| A | ASP272 |
| A | HOH410 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 303 |
| Chain | Residue |
| A | PHE216 |
| A | THR217 |
| A | GLN227 |
| A | ARG239 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 304 |
| Chain | Residue |
| A | THR179 |
| A | ALA180 |
| A | GLN181 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 305 |
| Chain | Residue |
| A | VAL98 |
| A | GLU107 |
| A | ILE146 |
| A | GOL306 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 306 |
| Chain | Residue |
| A | ARG114 |
| A | ILE146 |
| A | ASN150 |
| A | GOL305 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 307 |
| Chain | Residue |
| A | ASP36 |
| A | HOH404 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 308 |
| Chain | Residue |
| A | PRO109 |
| A | MET110 |
| A | THR111 |
| A | HIS240 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 309 |
| Chain | Residue |
| A | ASN67 |
| A | ASN67 |
| A | HIS68 |
| A | PRO69 |
| A | PRO69 |
| A | LYS153 |
| A | HOH408 |
| A | HOH408 |
| A | HOH409 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 310 |
| Chain | Residue |
| A | ASN143 |
| A | ASP156 |
| A | G93301 |
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 | 1 |
| Details | Active site: {"description":"Proton acceptor"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 14 |
| 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 | 2 |
| Details | Binding site: {} |
| Chain | Residue | Details |
