6KE5
Structure of CavAb in complex with Diltiazem and Amlodipine
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 | Ion transport protein | polymer | 284 | 32957.8 | 4 | UniProt (A8EVM5) Pfam (PF00520) Pfam (PF08016) In PDB | Arcobacter butzleri RM4018 | |
2 | A, C, D | [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE | non-polymer | 468.6 | 3 | Chemie (LPC) | |||
3 | A, C, D | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
4 | A, B, C, D | SN-GLYCEROL-3-PHOSPHATE | non-polymer | 172.1 | 5 | Chemie (G3P) | |||
5 | B | amlodipine | non-polymer | 408.9 | 1 | Chemie (6UB) | |||
6 | C | [(2~{S},3~{R})-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate | non-polymer | 414.5 | 1 | Chemie (D6C) | |||
7 | water | water | 18.0 | 1 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1001 - 1267 (UniProt: A8EVM5)
PDB | External Database | Details |
---|---|---|
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 | 131831.1 | |
Non-Polymers* | Number of molecules | 13 |
Total formula weight | 3209.8 | |
All* | Total formula weight | 135040.8 |