4ZTH
Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery
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 | 43955.9 | 1 | UniProt (Q16539) Pfam (PF00069) In PDB | Homo sapiens (Human) | MAPK 14,Cytokine suppressive anti-inflammatory drug-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 | 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine | non-polymer | 267.7 | 1 | Chemie (VVT) | |||
3 | A | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE | non-polymer | 239.2 | 1 | Chemie (GG5) | |||
4 | A | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
5 | water | water | 18.0 | 135 | 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 | 43955.9 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 585.1 | |
All* | Total formula weight | 44541.0 |