7Q25: Angiotensin-1 converting enzyme N-domain

Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012. Determined by X-ray diffraction at 1.6 Å resolution. Released 16 Feb 2022.

Method
X-ray diffraction
Resolution
1.6 Å
Organism
Homo sapiens
Chains
2
Atoms
11,242
Mol. weight
150.67 kDa
Ligands
NAG, 8J9, MG, ZN
Released
16 Feb 2022

Explore 7Q25 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7Q25 contains 76 α-helices and 14 β-strands across 2 chains. 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: 40 helices, 7 β-strands

ElementResiduesLengthSheet
α-helix3-53
α-helix14-4330
α-helix48-7528
α-helix80-823
α-helix86-9510
α-helix99-1024
α-helix105-12420
β-strand126-12831
β-strand136-13831
α-helix139-1435
α-helix144-1496
α-helix153-16311
α-helix164-1685
α-helix169-18719
α-helix194-2007
α-helix207-23731
α-helix2471
β-strand248-24922
α-helix262-2643
α-helix265-2684
α-helix280-2867
α-helix290-30314
α-helix307-3104
α-helix311-3166
β-strand31813
β-strand333-33643
β-strand343-34643
α-helix353-37220
α-helix377-3793
α-helix385-39915
α-helix402-4076
α-helix418-43215
α-helix435-45117
α-helix456-4583
α-helix459-4668
α-helix467-4715
β-strand473-47422
α-helix485-4884
α-helix491-4944
α-helix499-51820
α-helix525-5273
α-helix534-54613
α-helix552-5609
α-helix568-58720
α-helix590-5912
α-helix601-6044
α-helix609-6113
Chain B: 36 helices, 7 β-strands
ElementResiduesLengthSheet
α-helix3-53
α-helix14-4330
α-helix48-7629
α-helix80-823
α-helix86-9510
α-helix99-1024
α-helix105-12420
β-strand126-12834
β-strand136-13834
α-helix139-1435
α-helix144-1496
α-helix153-18735
α-helix194-2007
α-helix207-23731
α-helix2471
β-strand248-24925
α-helix262-2643
α-helix265-2684
α-helix280-2856
α-helix290-30314
α-helix307-3104
α-helix311-3166
β-strand31816
β-strand333-33646
β-strand343-34646
α-helix353-37220
α-helix377-3793
α-helix385-39915
α-helix402-4076
α-helix418-43215
α-helix435-45117
α-helix456-4583
α-helix459-4668
α-helix467-4715
β-strand473-47425
α-helix485-4884
α-helix499-51820
α-helix525-5273
α-helix534-54613
α-helix552-5609
α-helix568-58720
α-helix590-5912
α-helix601-6044

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Angiotensin-converting enzymeA, Bprotein629Homo sapiensP12821 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>7Q25_1 Angiotensin-converting enzyme (chains A, B)
LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAENARRQEEAALL
SQEFAEAWGQKAKELYEPIWQQFTDPQLRRIIGAVRTLGSANLPLAKRQQYNALLSQMSR
IYSTAKVCLPQKTATCWSLDPDLTNILASSRSYAMLLFAWEGWHNAAGIPLKPLYEDFTA
LSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDR
YINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEF
FTSLELSPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVH
HEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVTNDTES
DINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVTRN
ETHFDAGAKFHVPNVTPYIRYFVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKL
RKVLRAGSSRPWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWH
PPLPDNYPEGIDLVTDEAEASKFVEEYDL

Ligands and cofactors

IDNameFormulaCopies
NAG2-acetamido-2-deoxy-beta-D-glucopyranoseC8 H15 N O62
8J9(2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-…C25 H32 N2 O62
MGMagnesium ionMg2
ZNZinc ionZn2
P333,6,9,12,15,18-hexaoxaicosane-1,20-diolC14 H30 O81

Water and common crystallization additives (PEG, EDO, 1PE, ACT, PG4, CL) are not listed.

Primary citation

Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. Arendse, L.B., Cozier, G.E., Eyermann, C.J. et al. J Med Chem (2022) 65:3371-3387. DOI 10.1021/acs.jmedchem.1c01924 · PubMed

Other PDB entries of the same protein (UniProt P12821 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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