6ZIS: PDB entry 6ZIS

Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor. Determined by X-ray diffraction at 1.73 Å resolution. Released 15 Jul 2020.

Method
X-ray diffraction
Resolution
1.73 Å
Organisms
Escherichia coli (strain K12), Homo sapiens
Chains
1
Atoms
4,911
Mol. weight
68.16 kDa
Ligands
3N6
Released
15 Jul 2020

Explore 6ZIS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6ZIS contains 37 α-helices and 33 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 37 helices, 33 β-strands

ElementResiduesLengthSheet
α-helix2-43
β-strand9-1241
α-helix19-3315
β-strand37-4041
α-helix45-5410
β-strand61-6551
α-helix66-683
α-helix69-746
β-strand7812
α-helix79-813
α-helix85-884
β-strand9113
α-helix93-986
β-strand100-10124
β-strand104-10524
β-strand108-11361
β-strand116-12055
β-strand13016
α-helix131-1333
α-helix134-1429
β-strand147-14935
α-helix156-16510
β-strand169-17247
β-strand179-18467
α-helix188-20215
α-helix212-2209
β-strand224-22965
α-helix231-2333
α-helix234-2407
β-strand244-24745
α-helix248-2503
β-strand251-25226
β-strand255-25626
α-helix2591
β-strand260-26128
β-strand262-26871
β-strand26912
α-helix275-2817
α-helix282-2865
α-helix289-29810
β-strand303-30421
β-strand30613
α-helix307-3137
α-helix317-32812
β-strand330-33128
α-helix332-3332
α-helix338-35417
α-helix359-102518
α-helix1032-10354
α-helix1036-10416
α-helix1042-105110
α-helix1053-10553
α-helix1059-107921
α-helix1087-110014
α-helix2033-205422
α-helix2056-20583
β-strand2064-206529
α-helix2066-20672
β-strand2068-2069210
β-strand2074-2075210
β-strand2078-207929
β-strand2082-2087611
α-helix2088-20892
β-strand2100-2105611
β-strand2111111
β-strand2113112
β-strand2120112
β-strand2123111
α-helix2125-21273
α-helix2134-21429

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin…Aprotein594Escherichia coli (strain K12), Homo sapiensA0ACD6BAW2
Sequence of entity 1 (A), FASTA
>6ZIS_1 Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor (chains A)
ASAKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGP
DIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIY
NKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYD
IKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDT
SKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDK
PLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTV
DEALKDAQTNAAAEFTTACQEANYGALLRELCLTQFQVDMEAVGETLWCDWGRTIRSYRE
LADCTWHMAEKLGCFWPNAEVDRFFLAVHGRYFRSCPISGRAVGSAGSAGSAEDSIQLGV
TRNKIMTAQYECYQKIMQDPIQQAEGVYCQRTWDGWLCWNDVAAGTESMQLCPDYFQDFD
PSEKVTKICDQDGNWFRHPASQRTWTDYTQCNVNTHEKVKTALNLFYLHHHHHH

Ligands and cofactors

IDNameFormulaCopies
3N6N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-N…C38 H47 Br2 N9 O51

Water and common crystallization additives (PG4) are not listed.

Primary citation

Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related…. Bucknell, S.J., Ator, M.A., Brown, A.J.H. et al. J Med Chem (2020) 63:7906-7920. DOI 10.1021/acs.jmedchem.0c01003 · PubMed

Other PDB entries of the same protein (UniProt A0ACD6BAW2), best resolution first:

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