2G24: Renin

Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring. Determined by X-ray diffraction at 1.9 Å resolution. Released 13 Jun 2006.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,214
Mol. weight: 73.49 kDa
Ligands: 7IG
Released: 13 Jun 2006

Explore 2G24 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2G24 contains 29 α-helices and 63 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: 15 helices, 32 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	1
β-strand	8-10	3	2
β-strand	14-16	3	2
β-strand	17-21	5	3
β-strand	26-33	8	3
β-strand	39-42	4	3
β-strand	43	1	4
α-helix	51-54	4
β-strand	59	1	4
α-helix	61-63	3
β-strand	68-78	11	3
β-strand	81-94	14	3
β-strand	97-108	12	3
α-helix	111-114	4
β-strand	121-124	4	3
α-helix	128-130	3
α-helix	132-134	3
α-helix	135-137	3
α-helix	138-143	6
β-strand	152-157	6	1
α-helix	158-160	3
β-strand	167-171	5	1
α-helix	176-178	3
β-strand	179-187	9	1
β-strand	188	1	5
β-strand	195-198	4	5
β-strand	200-203	4	6
β-strand	209	1	6
β-strand	214-218	5	5
β-strand	225-227	3	5
α-helix	229-239	11
β-strand	242-243	2	7
β-strand	248-251	4	7
α-helix	252-257	6
α-helix	258-260	3
β-strand	261-265	5	6
β-strand	268-272	5	6
α-helix	274-277	4
β-strand	278	1	8
β-strand	288-290	3	7
β-strand	291	1	8
β-strand	293-295	3	5
α-helix	298-299	2
β-strand	306-308	3	5
α-helix	310-313	4
β-strand	316-321	6	1
β-strand	326-332	7	1

Chain B: 14 helices, 31 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	9
β-strand	8-10	3	10
β-strand	14-16	3	10
β-strand	17-21	5	11
β-strand	26-33	8	11
β-strand	39-42	4	11
β-strand	43	1	12
α-helix	52-55	4
β-strand	59	1	12
α-helix	61-63	3
β-strand	68	1	11
β-strand	73-77	5	11
β-strand	82-94	13	11
β-strand	97-108	12	11
α-helix	111-114	4
β-strand	121-124	4	11
α-helix	128-130	3
α-helix	132-134	3
α-helix	138-144	7
β-strand	152-157	6	9
α-helix	158-160	3
β-strand	167-171	5	9
α-helix	176-178	3
β-strand	179-187	9	9
β-strand	188	1	13
β-strand	195-203	9	13
β-strand	206-209	4	13
β-strand	214-218	5	13
β-strand	225-227	3	13
α-helix	229-239	11
β-strand	242-243	2	14
β-strand	248-251	4	14
α-helix	252-257	6
α-helix	259-260	2
β-strand	261-265	5	13
β-strand	269-272	4	13
α-helix	274-277	4
β-strand	278-279	2	14
β-strand	288-291	4	14
β-strand	293-295	3	13
α-helix	298-299	2
β-strand	306-308	3	13
α-helix	310-315	6
β-strand	316-321	6	9
β-strand	326-332	7	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Renin	A, B	protein	333	Homo sapiens	P00797 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>2G24_1 Renin (chains A, B)
SSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDAS
DSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGV
VGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYE
GNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALG
AKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPP
PTGPTWALGATFIRKFYTEFDRRNNRIGFALAR

Ligands and cofactors

ID	Name	Formula	Copies
7IG	5-{4-[(3,5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine	C19 H19 F2 N5	1

Primary citation

Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring. Holsworth, D.D., Cai, C., Cheng, X.M. et al. Bioorg Med Chem Lett (2006) 16:2500-2504. DOI 10.1016/j.bmcl.2006.01.084 · PubMed

Other PDB entries of the same protein (UniProt P00797 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3K1W 1.5 Å, New Classes of Potent and Bioavailable Human Renin Inhibitors
1HRN 1.8 Å, High resolution crystal structures of recombinant human renin in complex with…
2IKO 1.9 Å, Crystal Structure of Human Renin Complexed with Inhibitor
3G72 1.9 Å, Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
3KM4 1.9 Å, Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors
3G6Z 2.0 Å, Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
3G70 2.0 Å, Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
3GW5 2.0 Å, Crystal structure of human renin complexed with a novel inhibitor
3OWN 2.0 Å, Potent macrocyclic renin inhibitors
4Q1N 2.09 Å, Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors
2G26 2.1 Å, Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
3SFC 2.1 Å, Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin…

Browse structure collections

About this viewer

MolViewer shows 2G24 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.