8AX6
Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882
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/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor | polymer | 593 | 66288.5 | 1 | UniProt (P0AEX9) UniProt (O60894) UniProt (Q16602) Pfam (PF01547) Pfam (PF04901) Pfam (PF02793) | Escherichia coli K-12 | MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP,Calcitonin-receptor-like receptor activity-modifying protein 1,CRLR activity-modifying protein 1,CGRP type 1 receptor,Calcitonin receptor-like receptor |
| 2 | B (C) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | |||
| 3 | C (A) | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | non-polymer | 620.7 | 1 | Chemie (OP9) | |||
| 4 | D (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 5 | E (A) | water | water | 18.0 | 501 | Chemie (HOH) |
Sequence modifications
A: 2 - 368 (UniProt: P0AEX9)
A: 1024 - 2019 (UniProt: O60894)
A: 2029 - 2144 (UniProt: Q16602)
| PDB | External Database | Details |
|---|---|---|
| Ser 1 | - | expression tag |
| Asn 369 | - | linker |
| Ala 370 | - | linker |
| Ala 371 | - | linker |
| Ala 372 | - | linker |
| Glu 373 | - | linker |
| Phe 374 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Gly 2020 | - | linker |
| Ser 2021 | - | linker |
| Ala 2022 | - | linker |
| Gly 2023 | - | linker |
| Ser 2024 | - | linker |
| Ala 2025 | - | linker |
| Gly 2026 | - | linker |
| Ser 2027 | - | linker |
| Ala 2028 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Gln 2066 | Asn 66 | conflict |
| Gln 2118 | Asn 118 | conflict |
| His 2145 | - | expression tag |
| His 2146 | - | expression tag |
| His 2147 | - | expression tag |
| His 2148 | - | expression tag |
| His 2149 | - | expression tag |
| His 2150 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 66288.5 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 342.3 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 814.9 | |
| All* | Total formula weight | 67445.7 |
