4WGI
A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1 | polymer | 518 | 57310.9 | 1 | UniProt (P0AEY0) UniProt (Q07820) Pfam (PF01547) Pfam (PF00452) | Escherichia coli O157:H7 | MBP,MMBP,Maltodextrin-binding protein,Bcl-2-like protein 3,Bcl2-L-3,Bcl-2-related protein EAT/mcl1,mcl1/EAT |
| 2 | B (B) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | alpha-maltose | ||
| 3 | C (A) | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid | non-polymer | 666.6 | 1 | Chemie (3M6) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E, F, G, H, I... (A) | FORMIC ACID | non-polymer | 46.0 | 10 | Chemie (FMT) | |||
| 6 | O (A) | water | water | 18.0 | 483 | Chemie (HOH) |
Sequence modifications
A: -195 - 170 (UniProt: P0AEY0)
A: 173 - 321 (UniProt: Q07820)
| PDB | External Database | Details |
|---|---|---|
| Gly -196 | - | expression tag |
| Gly 171 | - | linker |
| Ser 172 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Ala 194 | Lys 194 | engineered mutation |
| Ala 197 | Lys 197 | engineered mutation |
| Ala 201 | Arg 201 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 57310.9 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 342.3 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1151.2 | |
| All* | Total formula weight | 58804.4 |
