5L7I
Structure of human Smoothened in complex with Vismodegib
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Smoothened homolog,Soluble cytochrome b562,Smoothened homolog | polymer | 638 | 70784.0 | 2 | UniProt (Q99835) UniProt (P0ABE7) Pfam (PF01392) Pfam (PF01534) Pfam (PF07361) In PDB | Homo sapiens (Human) | SMO,Protein Gx,Cytochrome b-562,SMO,Protein Gx |
2 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
3 | A, B | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide | non-polymer | 421.3 | 2 | Chemie (VIS) | |||
4 | B | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
5 | B | [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | non-polymer | 356.5 | 2 | Chemie (MPG) |
Sequence modifications
A, B: 32 - 428 (UniProt: Q99835)
A, B: 1016 - 1120 (UniProt: P0ABE7)
A, B: 1129 - 555 (UniProt: Q99835)
PDB | External Database | Details |
---|---|---|
Phe 329 | Val 329 | conflict |
PDB | External Database | Details |
---|---|---|
Trp 1022 | Met 29 | conflict |
Ile 1117 | His 124 | conflict |
Leu 1121 | - | linker |
Glu 1122 | - | linker |
Arg 1123 | - | linker |
Ala 1124 | - | linker |
Arg 1125 | - | linker |
Ser 1126 | - | linker |
Thr 1127 | - | linker |
Leu 1128 | - | linker |
PDB | External Database | Details |
---|---|---|
Ala 1011 | - | linker |
Arg 1012 | - | linker |
Arg 1013 | - | linker |
Gln 1014 | - | linker |
Leu 1015 | - | linker |
Gly 556 | - | expression tag |
Thr 557 | - | expression tag |
Glu 558 | - | expression tag |
Thr 559 | - | expression tag |
Ser 560 | - | expression tag |
Gln 561 | - | expression tag |
Val 562 | - | expression tag |
Ala 563 | - | expression tag |
Pro 564 | - | expression tag |
Ala 565 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 141567.9 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 1799.9 | |
All* | Total formula weight | 143367.8 |