5KLG
Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Ion transport protein | polymer | 285 | 33089.0 | 4 | UniProt (A8EVM5) Pfam (PF00520) Pfam (PF08016) | Arcobacter butzleri (strain RM4018) | |
| 2 | E, O (A, D) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 3 | F, G, H, I, J... (A, B, C, D) | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE | non-polymer | 677.9 | 11 | Chemie (MC3) | |||
| 4 | N, S (C, D) | O3-ethyl O5-methyl (4R)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | non-polymer | 481.4 | 2 | Chemie (6UC) | |||
| 5 | T, U (A, B) | water | water | 18.0 | 3 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1001 - 1267 (UniProt: A8EVM5)
| PDB | External Database | Details |
|---|---|---|
| Met 983 | - | initiating methionine |
| Asp 984 | - | expression tag |
| Tyr 985 | - | expression tag |
| Lys 986 | - | expression tag |
| Asp 987 | - | expression tag |
| Asp 988 | - | expression tag |
| Asp 989 | - | expression tag |
| Asp 990 | - | expression tag |
| Lys 991 | - | expression tag |
| Gly 992 | - | expression tag |
| Ser 993 | - | expression tag |
| Leu 994 | - | expression tag |
| Val 995 | - | expression tag |
| Pro 996 | - | expression tag |
| Arg 997 | - | expression tag |
| Gly 998 | - | expression tag |
| Ser 999 | - | expression tag |
| His 1000 | - | expression tag |
| Asp 1177 | Glu 177 | conflict |
| Asp 1178 | Ser 178 | conflict |
| Asn 1181 | Met 181 | conflict |
| Tyr 1195 | Trp 195 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 132355.9 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 8500.2 | |
| All* | Total formula weight | 140856.0 |
