4R3C
Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Mitogen-activated protein kinase 14 | polymer | 383 | 44032.0 | 1 | UniProt (Q16539) Pfam (PF00069) In PDB | Homo sapiens (human) | MAP kinase 14, MAPK 14, Cytokine suppressive anti-inflammatory drug-binding protein, CSAID-binding protein, CSBP, MAP kinase MXI2, MAX-interacting protein 2, Mitogen-activated protein kinase p38 alpha, MAP kinase p38 alpha, Stress-activated protein kinase 2a, SAPK2a |
2 | A | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE | non-polymer | 239.2 | 1 | Chemie (GG5) | |||
3 | A | 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine | non-polymer | 381.5 | 2 | Chemie (3GF) | |||
4 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
5 | water | water | 18.0 | 146 | Chemie (HOH) |
Sequence modifications
A: 2 - 360 (UniProt: Q16539)
PDB | External Database | Details |
---|---|---|
Met -22 | - | EXPRESSION TAG |
His -21 | - | EXPRESSION TAG |
His -20 | - | EXPRESSION TAG |
His -19 | - | EXPRESSION TAG |
His -18 | - | EXPRESSION TAG |
His -17 | - | EXPRESSION TAG |
His -16 | - | EXPRESSION TAG |
Ser -15 | - | EXPRESSION TAG |
Ser -14 | - | EXPRESSION TAG |
Gly -13 | - | EXPRESSION TAG |
Val -12 | - | EXPRESSION TAG |
Asp -11 | - | EXPRESSION TAG |
Leu -10 | - | EXPRESSION TAG |
Gly -9 | - | EXPRESSION TAG |
Thr -8 | - | EXPRESSION TAG |
Glu -7 | - | EXPRESSION TAG |
Asn -6 | - | EXPRESSION TAG |
Leu -5 | - | EXPRESSION TAG |
Tyr -4 | - | EXPRESSION TAG |
Phe -3 | - | EXPRESSION TAG |
Gln -2 | - | EXPRESSION TAG |
Ser -1 | - | EXPRESSION TAG |
Asn 0 | - | EXPRESSION TAG |
Ala 1 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 44032.0 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 1037.6 | |
All* | Total formula weight | 45069.7 |