6K1Q
Human endothelin receptor type-B in complex with inverse agonist IRL2500
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Endothelin B receptor,Endolysin,Endothelin B receptor | polymer | 464 | 52128.1 | 1 | UniProt (P24530) UniProt (P00720) Pfam (PF00001) Pfam (PF00959) In PDB | Homo sapiens (Human) | ET-BR,Endothelin receptor non-selective type,Lysis protein,Lysozyme,Muramidase,ET-BR,Endothelin receptor non-selective type |
| 2 | A | (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid | non-polymer | 573.7 | 1 | Chemie (D2U) | |||
| 3 | A | PHOSPHATE ION | non-polymer | 95.0 | 4 | Chemie (PO4) | |||
| 4 | A | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 8 | Chemie (OLC) | |||
| 5 | water | water | 18.0 | 34 | Chemie (HOH) |
Sequence modifications
A: 66 - 303 (UniProt: P24530)
A: 1012 - 1111 (UniProt: P00720)
A: 311 - 407 (UniProt: P24530)
| PDB | External Database | Details |
|---|---|---|
| Gly 63 | - | expression tag |
| Gly 64 | - | expression tag |
| Gly 65 | - | expression tag |
| Tyr 124 | Arg 124 | engineered mutation |
| Ala 270 | Lys 270 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 1047 | Cys 97 | engineered mutation |
| Arg 1087 | Ile 137 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Asn 1002 | - | linker |
| Ile 1003 | - | linker |
| Phe 1004 | - | linker |
| Glu 1005 | - | linker |
| Met 1006 | - | linker |
| Leu 1007 | - | linker |
| Arg 1008 | - | linker |
| Ile 1009 | - | linker |
| Asp 1010 | - | linker |
| Glu 1011 | - | linker |
| Gly 1012 | - | linker |
| Gly 1012 | - | linker |
| Gly 1012 | - | linker |
| Ser 1012 | - | linker |
| Gly 1012 | - | linker |
| Gly 1012 | - | linker |
| Ala 342 | Ser 342 | engineered mutation |
| Ala 381 | Ile 381 | engineered mutation |
| Ala 396 | Cys 396 | engineered mutation |
| Ala 400 | Cys 400 | engineered mutation |
| Ala 405 | Cys 405 | engineered mutation |
| Pro 408 | - | expression tag |
| Ser 409 | - | expression tag |
| Ser 410 | - | expression tag |
| Glu 411 | - | expression tag |
| Asn 412 | - | expression tag |
| Leu 413 | - | expression tag |
| Tyr 414 | - | expression tag |
| Phe 415 | - | expression tag |
| Gln 416 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52128.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 3805.9 | |
| All* | Total formula weight | 55934.0 |
