3GW5: Human renin

Crystal structure of human renin complexed with a novel inhibitor. Determined by X-ray diffraction at 2.0 Å resolution. Released 23 Jun 2009.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,648
Mol. weight: 76.04 kDa
Ligands: NAG, 72X
Released: 23 Jun 2009

Explore 3GW5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3GW5 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, 33 β-strands

Element	Residues	Length	Sheet
β-strand	6	1	1
β-strand	8-12	5	2
β-strand	13-15	3	3
β-strand	19-21	3	3
β-strand	22-26	5	4
β-strand	31-38	8	4
β-strand	44-47	4	4
β-strand	48	1	5
α-helix	56-58	3
β-strand	64	1	5
α-helix	66-68	3
β-strand	73-83	11	4
β-strand	86-99	14	4
β-strand	102-113	12	4
α-helix	116-119	4
β-strand	126-129	4	4
α-helix	133-135	3
α-helix	137-139	3
α-helix	140-142	3
α-helix	143-150	8
β-strand	153	1	1
β-strand	157-162	6	2
α-helix	163-165	3
β-strand	174-178	5	2
α-helix	183-185	3
β-strand	186-194	9	2
β-strand	202-205	4	6
β-strand	207-210	4	7
β-strand	213-216	4	7
β-strand	221-225	5	6
β-strand	232-234	3	6
α-helix	236-246	11
β-strand	249-250	2	8
β-strand	255-258	4	8
α-helix	259-264	6
α-helix	266-267	2
β-strand	268-272	5	7
β-strand	275-279	5	7
α-helix	281-284	4
β-strand	285	1	9
β-strand	295-297	3	8
β-strand	298	1	9
β-strand	300-302	3	6
α-helix	305-306	2
β-strand	313-315	3	6
α-helix	317-320	4
β-strand	323-328	6	2
β-strand	333-339	7	2

Chain B: 14 helices, 30 β-strands

Element	Residues	Length	Sheet
β-strand	6	1	10
β-strand	8-15	8	11
β-strand	19-26	8	11
β-strand	31-38	8	11
β-strand	44-47	4	11
β-strand	48	1	12
α-helix	57-60	4
β-strand	64	1	12
α-helix	66-68	3
β-strand	78-83	6	11
β-strand	86-99	14	11
β-strand	102-113	12	11
α-helix	116-119	4
β-strand	126-129	4	11
α-helix	133-135	3
α-helix	137-139	3
α-helix	140-142	3
α-helix	143-149	7
β-strand	153	1	10
β-strand	157-162	6	11
β-strand	174-178	5	11
α-helix	183-185	3
β-strand	186-194	9	11
β-strand	202-210	9	13
β-strand	213-216	4	13
β-strand	221-225	5	13
β-strand	232-234	3	13
α-helix	236-246	11
β-strand	249-250	2	14
β-strand	255-258	4	14
α-helix	259-264	6
α-helix	266-267	2
β-strand	268-272	5	13
β-strand	275-279	5	13
α-helix	281-284	4
β-strand	285	1	15
β-strand	295-297	3	14
β-strand	298	1	15
β-strand	300-302	3	13
α-helix	305-306	2
β-strand	313-315	3	13
α-helix	317-320	4
β-strand	323-328	6	11
β-strand	333-339	7	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Renin	A, B	protein	337	Homo sapiens	P00797 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3GW5_1 Renin (chains A, B)
GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKL
FDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAE
FDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDP
QHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLM
EALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAM
DIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	1
72X	(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl…	C28 H46 Cl N3 O3	2

Water and common crystallization additives (CL, GOL) are not listed.

Primary citation

Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Tice, C.M., Xu, Z., Yuan, J. et al. Bioorg Med Chem Lett (2009) 19:3541-3545. DOI 10.1016/j.bmcl.2009.04.140 · 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…
2G24 1.9 Å, Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
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
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…

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